CSIR CIMAP AROMA | Compound Details

Benzophenone Details

: IUPAC Name

:Chemical Class

:CAS Registry Number

119-61-9

:Description

:Fragrance Type

floral

Physical and Chemical properties

PUBCHEM ID	3102
Molecular Weight (g/mol)	182.223
Molecular Formula	C13H10O
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
IUPAC Name
Canonical SMILES	O=C(c1ccccc1)c2ccccc2
PUBCHEM IUPAC INCHIKEY	RWCCWEUUXYIKHB-UHFFFAOYSA-N
Solubility Level	3
Vapour Pressure	-2.662

Absorption and Metabolism information

XLOGP3 AA	NA
CACTVS TPSA	54.37
BBB Level	1
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	3.234
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Non-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Non-Carcinogen
Rat Male FDA	Non-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Non-Toxic
Rat Oral LD50	1.58636
Ocular Irritancy	None
Hepatotoxic#Prediction	1
Effected Human Genes	NA

Ecological Information

Aerobic Biodegradability Prediction	Non-Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	None
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1	119-61-9	ALDH1A1	Rattus norvegicus	benzophenone results in increased expression of ALDH1A1 mRNA	increases^expression	22584684
2	119-61-9	ANAPC11	Rattus norvegicus	benzophenone results in decreased expression of ANAPC11 mRNA	decreases^expression	22584684
3	119-61-9	AR	Rattus norvegicus	benzophenone binds to AR protein	affects^binding	14565775
4	119-61-9	CCNB1	Rattus norvegicus	benzophenone results in increased expression of CCNB1 mRNA	increases^expression	22584684
5	119-61-9	CDK1	Rattus norvegicus	benzophenone results in increased expression of CDK1 mRNA	increases^expression	22584684
6	119-61-9	CYP2B1	Rattus norvegicus	benzophenone results in increased expression of CYP2B1	increases^expression	22584684
7	119-61-9	CYP2B1	Rattus norvegicus	benzophenone results in increased expression of CYP2B1 mRNA	increases^expression	14613717
8	119-61-9	CYP2B2	Rattus norvegicus	benzophenone results in increased expression of CYP2B2 mRNA	increases^expression	14613717
9	119-61-9	CYP2C11	Rattus norvegicus	benzophenone results in increased expression of CYP2C11 mRNA	increases^expression	14613717
10	119-61-9	CYP3A23/3A1	Rattus norvegicus	benzophenone results in increased expression of CYP3A23/3A1 mRNA	increases^expression	14613717
11	119-61-9	ER	Pimephales promelas	benzophenone binds to and results in increased activity of ER protein	affects^binding\|increases^activity	18992764
12	119-61-9	ESR1	Homo sapiens	benzophenone binds to and results in increased activity of ESR1 protein	affects^binding\|increases^activity	16079615\|27633901
13	119-61-9	ESR2	Homo sapiens	benzophenone binds to and results in increased activity of ESR2 protein	affects^binding\|increases^activity	16079615\|27633901
14	119-61-9	ESR2	Homo sapiens	benzophenone binds to ESR2 protein	affects^binding	12224631
15	119-61-9	FOS	Homo sapiens	benzophenone results in increased expression of FOS mRNA	increases^expression	24308608
16	119-61-9	FOS	Homo sapiens	benzophenone results in increased expression of FOS protein	increases^expression	24308608
17	119-61-9	MIR182	Rattus norvegicus	benzophenone results in increased expression of MIR182 mRNA	increases^expression	22584684
18	119-61-9	MIR200A	Rattus norvegicus	benzophenone results in increased expression of MIR200A mRNA	increases^expression	22584684
19	119-61-9	MIR200B	Rattus norvegicus	benzophenone results in increased expression of MIR200B mRNA	increases^expression	22584684
20	119-61-9	MIR221	Rattus norvegicus	benzophenone results in decreased expression of MIR221 mRNA	decreases^expression	22584684
21	119-61-9	MIR429	Rattus norvegicus	benzophenone results in increased expression of MIR429 mRNA	increases^expression	22584684
22	119-61-9	MIR96	Rattus norvegicus	benzophenone results in increased expression of MIR96 mRNA	increases^expression	22584684
23	119-61-9	NR1I2	Rattus norvegicus	benzophenone binds to and results in increased activity of NR1I2 protein	affects^binding\|increases^activity	14613717
24	119-61-9	NUSAP1	Rattus norvegicus	benzophenone results in increased expression of NUSAP1 mRNA	increases^expression	22584684
25	119-61-9	STEAP3	Rattus norvegicus	benzophenone results in decreased expression of STEAP3 mRNA	decreases^expression	22584684
26	119-61-9	STMN1	Rattus norvegicus	benzophenone results in increased expression of STMN1 mRNA	increases^expression	22584684
27	119-61-9	TPO	Homo sapiens	benzophenone results in decreased activity of TPO protein	decreases^activity	21809831
28	119-61-9	TXNL4B	Rattus norvegicus	benzophenone results in increased expression of TXNL4B mRNA	increases^expression	22584684
29	119-61-9	VTG	Pimephales promelas	benzophenone results in increased expression of VTG protein	increases^expression	18992764
30	119-61-9	ALDH1A1	Rattus norvegicus	benzophenone results in increased expression of ALDH1A1 mRNA	increases^expression	22584684
31	119-61-9	ANAPC11	Rattus norvegicus	benzophenone results in decreased expression of ANAPC11 mRNA	decreases^expression	22584684
32	119-61-9	AR	Rattus norvegicus	benzophenone binds to AR protein	affects^binding	14565775
33	119-61-9	CCNB1	Rattus norvegicus	benzophenone results in increased expression of CCNB1 mRNA	increases^expression	22584684
34	119-61-9	CDK1	Rattus norvegicus	benzophenone results in increased expression of CDK1 mRNA	increases^expression	22584684
35	119-61-9	CYP2B1	Rattus norvegicus	benzophenone results in increased expression of CYP2B1	increases^expression	22584684
36	119-61-9	CYP2B1	Rattus norvegicus	benzophenone results in increased expression of CYP2B1 mRNA	increases^expression	14613717
37	119-61-9	CYP2B2	Rattus norvegicus	benzophenone results in increased expression of CYP2B2 mRNA	increases^expression	14613717
38	119-61-9	CYP2C11	Rattus norvegicus	benzophenone results in increased expression of CYP2C11 mRNA	increases^expression	14613717
39	119-61-9	CYP3A23/3A1	Rattus norvegicus	benzophenone results in increased expression of CYP3A23/3A1 mRNA	increases^expression	14613717
40	119-61-9	ER	Pimephales promelas	benzophenone binds to and results in increased activity of ER protein	affects^binding\|increases^activity	18992764
41	119-61-9	ESR1	Homo sapiens	benzophenone binds to and results in increased activity of ESR1 protein	affects^binding\|increases^activity	16079615\|27633901
42	119-61-9	ESR2	Homo sapiens	benzophenone binds to and results in increased activity of ESR2 protein	affects^binding\|increases^activity	16079615\|27633901
43	119-61-9	ESR2	Homo sapiens	benzophenone binds to ESR2 protein	affects^binding	12224631
44	119-61-9	FOS	Homo sapiens	benzophenone results in increased expression of FOS mRNA	increases^expression	24308608
45	119-61-9	FOS	Homo sapiens	benzophenone results in increased expression of FOS protein	increases^expression	24308608
46	119-61-9	MIR182	Rattus norvegicus	benzophenone results in increased expression of MIR182 mRNA	increases^expression	22584684
47	119-61-9	MIR200A	Rattus norvegicus	benzophenone results in increased expression of MIR200A mRNA	increases^expression	22584684
48	119-61-9	MIR200B	Rattus norvegicus	benzophenone results in increased expression of MIR200B mRNA	increases^expression	22584684
49	119-61-9	MIR221	Rattus norvegicus	benzophenone results in decreased expression of MIR221 mRNA	decreases^expression	22584684
50	119-61-9	MIR429	Rattus norvegicus	benzophenone results in increased expression of MIR429 mRNA	increases^expression	22584684
51	119-61-9	MIR96	Rattus norvegicus	benzophenone results in increased expression of MIR96 mRNA	increases^expression	22584684
52	119-61-9	NR1I2	Rattus norvegicus	benzophenone binds to and results in increased activity of NR1I2 protein	affects^binding\|increases^activity	14613717
53	119-61-9	NUSAP1	Rattus norvegicus	benzophenone results in increased expression of NUSAP1 mRNA	increases^expression	22584684
54	119-61-9	STEAP3	Rattus norvegicus	benzophenone results in decreased expression of STEAP3 mRNA	decreases^expression	22584684
55	119-61-9	STMN1	Rattus norvegicus	benzophenone results in increased expression of STMN1 mRNA	increases^expression	22584684
56	119-61-9	TPO	Homo sapiens	benzophenone results in decreased activity of TPO protein	decreases^activity	21809831
57	119-61-9	TXNL4B	Rattus norvegicus	benzophenone results in increased expression of TXNL4B mRNA	increases^expression	22584684
58	119-61-9	VTG	Pimephales promelas	benzophenone results in increased expression of VTG protein	increases^expression	18992764

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1				119-61-9	Benzophenone

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