CSIR CIMAP AROMA | Compound Details

1,2-Dimethoxy-4-allylbenzene Details

: IUPAC Name

Methyleugenol

:Chemical Class

Sesquiterpene

:CAS Registry Number

93-15-2

:Description

:Fragrance Type

Clove-carnation aroma

Physical and Chemical properties

PUBCHEM ID	7127
Molecular Weight (g/mol)	178.233
Molecular Formula	C11H14O2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
IUPAC Name	Methyleugenol
Canonical SMILES	C=CCc1ccc(OC)c(OC)c1
PUBCHEM IUPAC INCHIKEY	ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-2.009

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	17.07
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	2.805
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Non-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.58002
Ocular Irritancy	Mild
Hepatotoxic#Prediction	0
Effected Human Genes	NA

Ecological Information

Aerobic Biodegradability Prediction	Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	93-15-2	AURKB	Rattus norvegicus	methyleugenol results in increased expression of AURKB protein	increases^expression	23411599
2	93-15-2	BRCA1	Rattus norvegicus	methyleugenol results in decreased expression of BRCA1 mRNA	decreases^expression	21659616
3	93-15-2	CBX5	Rattus norvegicus	methyleugenol results in increased expression of CBX5 protein	increases^expression	23411599
4	93-15-2	CCNG1	Mus musculus	methyleugenol results in increased expression of CCNG1 mRNA	increases^expression	15618236
5	93-15-2	CDK1	Rattus norvegicus	methyleugenol results in increased expression of CDK1 protein	increases^expression	23411599
6	93-15-2	CDKN1A	Mus musculus	methyleugenol results in increased expression of CDKN1A mRNA	increases^expression	15618236
7	93-15-2	CDKN1A	Rattus norvegicus	methyleugenol results in increased expression of CDKN1A protein	increases^expression	23411599
8	93-15-2	CDKN2A	Rattus norvegicus	methyleugenol results in increased expression of CDKN2A protein	increases^expression	23411599
9	93-15-2	CISH	Mus musculus	methyleugenol results in decreased expression of CISH mRNA	decreases^expression	15618236
10	93-15-2	CTNNB1	Mus musculus	methyleugenol results in increased mutagenesis of CTNNB1 gene	increases^mutagenesis	10467420
11	93-15-2	DNASE2A	Mus musculus	methyleugenol results in increased expression of DNASE2A mRNA	increases^expression	15618236
12	93-15-2	EGFR	Mus musculus	methyleugenol results in decreased expression of EGFR protein	decreases^expression	15618236
13	93-15-2	EGR1	Mus musculus	methyleugenol results in increased expression of EGR1 mRNA	increases^expression	15618236
14	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT mRNA	decreases^expression	15618236
15	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT protein	decreases^expression	15618236
16	93-15-2	GADD45B	Mus musculus	methyleugenol results in increased expression of GADD45B mRNA	increases^expression	15618236
17	93-15-2	GSTA1	Homo sapiens	methyleugenol results in decreased activity of GSTA1 protein	decreases^activity	8620581
18	93-15-2	GSTA2	Rattus norvegicus	methyleugenol results in decreased activity of GSTA2 protein	decreases^activity	8620581
19	93-15-2	GSTA3	Rattus norvegicus	methyleugenol results in decreased activity of GSTA3 protein	decreases^activity	8620581
20	93-15-2	GSTM1	Homo sapiens	methyleugenol results in decreased activity of GSTM1 protein	decreases^activity	8620581
21	93-15-2	GSTM2	Rattus norvegicus	methyleugenol results in decreased activity of GSTM2 protein	decreases^activity	8620581
22	93-15-2	GSTP1	Homo sapiens	methyleugenol results in decreased activity of GSTP1 protein	decreases^activity	8620581
23	93-15-2	HDC		methyleugenol inhibits the reaction [TAC1 protein results in increased expression of HDC mRNA]	decreases^reaction\|increases^expression	9125128
24	93-15-2	INCENP	Rattus norvegicus	methyleugenol results in increased expression of INCENP protein	increases^expression	23411599
25	93-15-2	INHBA	Mus musculus	methyleugenol results in decreased expression of INHBA mRNA	decreases^expression	15618236
26	93-15-2	JUNB	Mus musculus	methyleugenol results in increased expression of JUNB mRNA	increases^expression	15618236
27	93-15-2	KLF6	Rattus norvegicus	methyleugenol results in increased expression of KLF6 mRNA	increases^expression	23411599
28	93-15-2	MKI67	Rattus norvegicus	methyleugenol results in increased expression of MKI67 protein	increases^expression	23411599
29	93-15-2	MPG	Rattus norvegicus	methyleugenol results in decreased expression of MPG mRNA	decreases^expression	21659616
30	93-15-2	OGG1	Rattus norvegicus	methyleugenol results in decreased expression of OGG1 mRNA	decreases^expression	21659616
31	93-15-2	PMS1	Rattus norvegicus	methyleugenol results in decreased expression of PMS1 mRNA	decreases^expression	21659616
32	93-15-2	PMS2	Rattus norvegicus	methyleugenol results in decreased expression of PMS2 mRNA	decreases^expression	21659616
33	93-15-2	POLD3	Rattus norvegicus	methyleugenol results in decreased expression of POLD3 mRNA	decreases^expression	21659616
34	93-15-2	RAD1	Rattus norvegicus	methyleugenol results in decreased expression of RAD1 mRNA	decreases^expression	21659616
35	93-15-2	RAD52	Rattus norvegicus	methyleugenol results in decreased expression of RAD52 mRNA	decreases^expression	21659616
36	93-15-2	RAD9A	Rattus norvegicus	methyleugenol results in decreased expression of RAD9A mRNA	decreases^expression	21659616
37	93-15-2	TP53	Rattus norvegicus	methyleugenol results in increased expression of TP53 protein	increases^expression	23411599
38	93-15-2	WWOX	Mus musculus	methyleugenol results in decreased expression of WWOX protein	decreases^expression	15618236
39	93-15-2	AURKB	Rattus norvegicus	methyleugenol results in increased expression of AURKB protein	increases^expression	23411599
40	93-15-2	BRCA1	Rattus norvegicus	methyleugenol results in decreased expression of BRCA1 mRNA	decreases^expression	21659616
41	93-15-2	CBX5	Rattus norvegicus	methyleugenol results in increased expression of CBX5 protein	increases^expression	23411599
42	93-15-2	CCNG1	Mus musculus	methyleugenol results in increased expression of CCNG1 mRNA	increases^expression	15618236
43	93-15-2	CDK1	Rattus norvegicus	methyleugenol results in increased expression of CDK1 protein	increases^expression	23411599
44	93-15-2	CDKN1A	Mus musculus	methyleugenol results in increased expression of CDKN1A mRNA	increases^expression	15618236
45	93-15-2	CDKN1A	Rattus norvegicus	methyleugenol results in increased expression of CDKN1A protein	increases^expression	23411599
46	93-15-2	CDKN2A	Rattus norvegicus	methyleugenol results in increased expression of CDKN2A protein	increases^expression	23411599
47	93-15-2	CISH	Mus musculus	methyleugenol results in decreased expression of CISH mRNA	decreases^expression	15618236
48	93-15-2	CTNNB1	Mus musculus	methyleugenol results in increased mutagenesis of CTNNB1 gene	increases^mutagenesis	10467420
49	93-15-2	DNASE2A	Mus musculus	methyleugenol results in increased expression of DNASE2A mRNA	increases^expression	15618236
50	93-15-2	EGFR	Mus musculus	methyleugenol results in decreased expression of EGFR protein	decreases^expression	15618236
51	93-15-2	EGR1	Mus musculus	methyleugenol results in increased expression of EGR1 mRNA	increases^expression	15618236
52	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT mRNA	decreases^expression	15618236
53	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT protein	decreases^expression	15618236
54	93-15-2	GADD45B	Mus musculus	methyleugenol results in increased expression of GADD45B mRNA	increases^expression	15618236
55	93-15-2	GSTA1	Homo sapiens	methyleugenol results in decreased activity of GSTA1 protein	decreases^activity	8620581
56	93-15-2	GSTA2	Rattus norvegicus	methyleugenol results in decreased activity of GSTA2 protein	decreases^activity	8620581
57	93-15-2	GSTA3	Rattus norvegicus	methyleugenol results in decreased activity of GSTA3 protein	decreases^activity	8620581
58	93-15-2	GSTM1	Homo sapiens	methyleugenol results in decreased activity of GSTM1 protein	decreases^activity	8620581
59	93-15-2	GSTM2	Rattus norvegicus	methyleugenol results in decreased activity of GSTM2 protein	decreases^activity	8620581
60	93-15-2	GSTP1	Homo sapiens	methyleugenol results in decreased activity of GSTP1 protein	decreases^activity	8620581
61	93-15-2	HDC		methyleugenol inhibits the reaction [TAC1 protein results in increased expression of HDC mRNA]	decreases^reaction\|increases^expression	9125128
62	93-15-2	INCENP	Rattus norvegicus	methyleugenol results in increased expression of INCENP protein	increases^expression	23411599
63	93-15-2	INHBA	Mus musculus	methyleugenol results in decreased expression of INHBA mRNA	decreases^expression	15618236
64	93-15-2	JUNB	Mus musculus	methyleugenol results in increased expression of JUNB mRNA	increases^expression	15618236
65	93-15-2	KLF6	Rattus norvegicus	methyleugenol results in increased expression of KLF6 mRNA	increases^expression	23411599
66	93-15-2	MKI67	Rattus norvegicus	methyleugenol results in increased expression of MKI67 protein	increases^expression	23411599
67	93-15-2	MPG	Rattus norvegicus	methyleugenol results in decreased expression of MPG mRNA	decreases^expression	21659616
68	93-15-2	OGG1	Rattus norvegicus	methyleugenol results in decreased expression of OGG1 mRNA	decreases^expression	21659616
69	93-15-2	PMS1	Rattus norvegicus	methyleugenol results in decreased expression of PMS1 mRNA	decreases^expression	21659616
70	93-15-2	PMS2	Rattus norvegicus	methyleugenol results in decreased expression of PMS2 mRNA	decreases^expression	21659616
71	93-15-2	POLD3	Rattus norvegicus	methyleugenol results in decreased expression of POLD3 mRNA	decreases^expression	21659616
72	93-15-2	RAD1	Rattus norvegicus	methyleugenol results in decreased expression of RAD1 mRNA	decreases^expression	21659616
73	93-15-2	RAD52	Rattus norvegicus	methyleugenol results in decreased expression of RAD52 mRNA	decreases^expression	21659616
74	93-15-2	RAD9A	Rattus norvegicus	methyleugenol results in decreased expression of RAD9A mRNA	decreases^expression	21659616
75	93-15-2	TP53	Rattus norvegicus	methyleugenol results in increased expression of TP53 protein	increases^expression	23411599
76	93-15-2	WWOX	Mus musculus	methyleugenol results in decreased expression of WWOX protein	decreases^expression	15618236
77	93-15-2	AURKB	Rattus norvegicus	methyleugenol results in increased expression of AURKB protein	increases^expression	23411599
78	93-15-2	BRCA1	Rattus norvegicus	methyleugenol results in decreased expression of BRCA1 mRNA	decreases^expression	21659616
79	93-15-2	CBX5	Rattus norvegicus	methyleugenol results in increased expression of CBX5 protein	increases^expression	23411599
80	93-15-2	CCNG1	Mus musculus	methyleugenol results in increased expression of CCNG1 mRNA	increases^expression	15618236
81	93-15-2	CDK1	Rattus norvegicus	methyleugenol results in increased expression of CDK1 protein	increases^expression	23411599
82	93-15-2	CDKN1A	Mus musculus	methyleugenol results in increased expression of CDKN1A mRNA	increases^expression	15618236
83	93-15-2	CDKN1A	Rattus norvegicus	methyleugenol results in increased expression of CDKN1A protein	increases^expression	23411599
84	93-15-2	CDKN2A	Rattus norvegicus	methyleugenol results in increased expression of CDKN2A protein	increases^expression	23411599
85	93-15-2	CISH	Mus musculus	methyleugenol results in decreased expression of CISH mRNA	decreases^expression	15618236
86	93-15-2	CTNNB1	Mus musculus	methyleugenol results in increased mutagenesis of CTNNB1 gene	increases^mutagenesis	10467420
87	93-15-2	DNASE2A	Mus musculus	methyleugenol results in increased expression of DNASE2A mRNA	increases^expression	15618236
88	93-15-2	EGFR	Mus musculus	methyleugenol results in decreased expression of EGFR protein	decreases^expression	15618236
89	93-15-2	EGR1	Mus musculus	methyleugenol results in increased expression of EGR1 mRNA	increases^expression	15618236
90	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT mRNA	decreases^expression	15618236
91	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT protein	decreases^expression	15618236
92	93-15-2	GADD45B	Mus musculus	methyleugenol results in increased expression of GADD45B mRNA	increases^expression	15618236
93	93-15-2	GSTA1	Homo sapiens	methyleugenol results in decreased activity of GSTA1 protein	decreases^activity	8620581
94	93-15-2	GSTA2	Rattus norvegicus	methyleugenol results in decreased activity of GSTA2 protein	decreases^activity	8620581
95	93-15-2	GSTA3	Rattus norvegicus	methyleugenol results in decreased activity of GSTA3 protein	decreases^activity	8620581
96	93-15-2	GSTM1	Homo sapiens	methyleugenol results in decreased activity of GSTM1 protein	decreases^activity	8620581
97	93-15-2	GSTM2	Rattus norvegicus	methyleugenol results in decreased activity of GSTM2 protein	decreases^activity	8620581
98	93-15-2	GSTP1	Homo sapiens	methyleugenol results in decreased activity of GSTP1 protein	decreases^activity	8620581
99	93-15-2	HDC		methyleugenol inhibits the reaction [TAC1 protein results in increased expression of HDC mRNA]	decreases^reaction\|increases^expression	9125128
100	93-15-2	INCENP	Rattus norvegicus	methyleugenol results in increased expression of INCENP protein	increases^expression	23411599
101	93-15-2	INHBA	Mus musculus	methyleugenol results in decreased expression of INHBA mRNA	decreases^expression	15618236
102	93-15-2	JUNB	Mus musculus	methyleugenol results in increased expression of JUNB mRNA	increases^expression	15618236
103	93-15-2	KLF6	Rattus norvegicus	methyleugenol results in increased expression of KLF6 mRNA	increases^expression	23411599
104	93-15-2	MKI67	Rattus norvegicus	methyleugenol results in increased expression of MKI67 protein	increases^expression	23411599
105	93-15-2	MPG	Rattus norvegicus	methyleugenol results in decreased expression of MPG mRNA	decreases^expression	21659616
106	93-15-2	OGG1	Rattus norvegicus	methyleugenol results in decreased expression of OGG1 mRNA	decreases^expression	21659616
107	93-15-2	PMS1	Rattus norvegicus	methyleugenol results in decreased expression of PMS1 mRNA	decreases^expression	21659616
108	93-15-2	PMS2	Rattus norvegicus	methyleugenol results in decreased expression of PMS2 mRNA	decreases^expression	21659616
109	93-15-2	POLD3	Rattus norvegicus	methyleugenol results in decreased expression of POLD3 mRNA	decreases^expression	21659616
110	93-15-2	RAD1	Rattus norvegicus	methyleugenol results in decreased expression of RAD1 mRNA	decreases^expression	21659616
111	93-15-2	RAD52	Rattus norvegicus	methyleugenol results in decreased expression of RAD52 mRNA	decreases^expression	21659616
112	93-15-2	RAD9A	Rattus norvegicus	methyleugenol results in decreased expression of RAD9A mRNA	decreases^expression	21659616
113	93-15-2	TP53	Rattus norvegicus	methyleugenol results in increased expression of TP53 protein	increases^expression	23411599
114	93-15-2	WWOX	Mus musculus	methyleugenol results in decreased expression of WWOX protein	decreases^expression	15618236
115	93-15-2	AURKB	Rattus norvegicus	methyleugenol results in increased expression of AURKB protein	increases^expression	23411599
116	93-15-2	BRCA1	Rattus norvegicus	methyleugenol results in decreased expression of BRCA1 mRNA	decreases^expression	21659616
117	93-15-2	CBX5	Rattus norvegicus	methyleugenol results in increased expression of CBX5 protein	increases^expression	23411599
118	93-15-2	CCNG1	Mus musculus	methyleugenol results in increased expression of CCNG1 mRNA	increases^expression	15618236
119	93-15-2	CDK1	Rattus norvegicus	methyleugenol results in increased expression of CDK1 protein	increases^expression	23411599
120	93-15-2	CDKN1A	Mus musculus	methyleugenol results in increased expression of CDKN1A mRNA	increases^expression	15618236
121	93-15-2	CDKN1A	Rattus norvegicus	methyleugenol results in increased expression of CDKN1A protein	increases^expression	23411599
122	93-15-2	CDKN2A	Rattus norvegicus	methyleugenol results in increased expression of CDKN2A protein	increases^expression	23411599
123	93-15-2	CISH	Mus musculus	methyleugenol results in decreased expression of CISH mRNA	decreases^expression	15618236
124	93-15-2	CTNNB1	Mus musculus	methyleugenol results in increased mutagenesis of CTNNB1 gene	increases^mutagenesis	10467420
125	93-15-2	DNASE2A	Mus musculus	methyleugenol results in increased expression of DNASE2A mRNA	increases^expression	15618236
126	93-15-2	EGFR	Mus musculus	methyleugenol results in decreased expression of EGFR protein	decreases^expression	15618236
127	93-15-2	EGR1	Mus musculus	methyleugenol results in increased expression of EGR1 mRNA	increases^expression	15618236
128	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT mRNA	decreases^expression	15618236
129	93-15-2	FHIT	Mus musculus	methyleugenol results in decreased expression of FHIT protein	decreases^expression	15618236
130	93-15-2	GADD45B	Mus musculus	methyleugenol results in increased expression of GADD45B mRNA	increases^expression	15618236
131	93-15-2	GSTA1	Homo sapiens	methyleugenol results in decreased activity of GSTA1 protein	decreases^activity	8620581
132	93-15-2	GSTA2	Rattus norvegicus	methyleugenol results in decreased activity of GSTA2 protein	decreases^activity	8620581
133	93-15-2	GSTA3	Rattus norvegicus	methyleugenol results in decreased activity of GSTA3 protein	decreases^activity	8620581
134	93-15-2	GSTM1	Homo sapiens	methyleugenol results in decreased activity of GSTM1 protein	decreases^activity	8620581
135	93-15-2	GSTM2	Rattus norvegicus	methyleugenol results in decreased activity of GSTM2 protein	decreases^activity	8620581
136	93-15-2	GSTP1	Homo sapiens	methyleugenol results in decreased activity of GSTP1 protein	decreases^activity	8620581
137	93-15-2	HDC		methyleugenol inhibits the reaction [TAC1 protein results in increased expression of HDC mRNA]	decreases^reaction\|increases^expression	9125128
138	93-15-2	INCENP	Rattus norvegicus	methyleugenol results in increased expression of INCENP protein	increases^expression	23411599
139	93-15-2	INHBA	Mus musculus	methyleugenol results in decreased expression of INHBA mRNA	decreases^expression	15618236
140	93-15-2	JUNB	Mus musculus	methyleugenol results in increased expression of JUNB mRNA	increases^expression	15618236
141	93-15-2	KLF6	Rattus norvegicus	methyleugenol results in increased expression of KLF6 mRNA	increases^expression	23411599
142	93-15-2	MKI67	Rattus norvegicus	methyleugenol results in increased expression of MKI67 protein	increases^expression	23411599
143	93-15-2	MPG	Rattus norvegicus	methyleugenol results in decreased expression of MPG mRNA	decreases^expression	21659616
144	93-15-2	OGG1	Rattus norvegicus	methyleugenol results in decreased expression of OGG1 mRNA	decreases^expression	21659616
145	93-15-2	PMS1	Rattus norvegicus	methyleugenol results in decreased expression of PMS1 mRNA	decreases^expression	21659616
146	93-15-2	PMS2	Rattus norvegicus	methyleugenol results in decreased expression of PMS2 mRNA	decreases^expression	21659616
147	93-15-2	POLD3	Rattus norvegicus	methyleugenol results in decreased expression of POLD3 mRNA	decreases^expression	21659616
148	93-15-2	RAD1	Rattus norvegicus	methyleugenol results in decreased expression of RAD1 mRNA	decreases^expression	21659616
149	93-15-2	RAD52	Rattus norvegicus	methyleugenol results in decreased expression of RAD52 mRNA	decreases^expression	21659616
150	93-15-2	RAD9A	Rattus norvegicus	methyleugenol results in decreased expression of RAD9A mRNA	decreases^expression	21659616
151	93-15-2	TP53	Rattus norvegicus	methyleugenol results in increased expression of TP53 protein	increases^expression	23411599
152	93-15-2	WWOX	Mus musculus	methyleugenol results in decreased expression of WWOX protein	decreases^expression	15618236

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				93-15-2	1,2-Dimethoxy-4-allylbenzene

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