1,2-Benzodihydropyrone Details
:
IUPAC Name
Dihydrocoumarin
:Chemical Class
:CAS Registry Number
119-84-6
:Description
:Fragrance Type
coconut
Physical and Chemical properties
| PUBCHEM ID | 660 |
| Molecular Weight (g/mol) | 148.163 |
| Molecular Formula | C9H8O2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| IUPAC Name | Dihydrocoumarin |
| Canonical SMILES | O=C2CCc1ccccc1O2 |
| PUBCHEM IUPAC INCHIKEY | VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -2.267 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 15.79 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 1.923 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-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 | 0.737663 |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 119-84-6 | DDIT3 | Mus musculus | 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA | affects^expression | 22016648 |
| 2 | 119-84-6 | DNAJA2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA | decreases^expression | 22016648 |
| 3 | 119-84-6 | EGF | Mus musculus | 3,4-dihydrocoumarin results in increased expression of EGF mRNA | increases^expression | 22016648 |
| 4 | 119-84-6 | EPHX1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA | decreases^expression | 22016648 |
| 5 | 119-84-6 | HSD17B4 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA | increases^expression | 22016648 |
| 6 | 119-84-6 | HSP90AB1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA | decreases^expression | 22016648 |
| 7 | 119-84-6 | HSPA1A | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA | increases^expression | 22016648 |
| 8 | 119-84-6 | KAP | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of KAP mRNA | decreases^expression | 22016648 |
| 9 | 119-84-6 | OAT | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of OAT mRNA | decreases^expression | 22016648 |
| 10 | 119-84-6 | PEPCK | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA | decreases^expression | 22016648 |
| 11 | 119-84-6 | PRDX1 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA | increases^expression | 22016648 |
| 12 | 119-84-6 | PRDX3 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA | decreases^expression | 22016648 |
| 13 | 119-84-6 | PSMB8 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA | decreases^expression | 22016648 |
| 14 | 119-84-6 | PTPMT1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA | decreases^expression | 22016648 |
| 15 | 119-84-6 | RBP4 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA | decreases^expression | 22016648 |
| 16 | 119-84-6 | SOD1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA | decreases^expression | 22016648 |
| 17 | 119-84-6 | TIMP2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA | decreases^expression | 22016648 |
| 18 | 119-84-6 | TUBB5 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA | decreases^expression | 22016648 |
| 19 | 119-84-6 | DDIT3 | Mus musculus | 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA | affects^expression | 22016648 |
| 20 | 119-84-6 | DNAJA2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA | decreases^expression | 22016648 |
| 21 | 119-84-6 | EGF | Mus musculus | 3,4-dihydrocoumarin results in increased expression of EGF mRNA | increases^expression | 22016648 |
| 22 | 119-84-6 | EPHX1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA | decreases^expression | 22016648 |
| 23 | 119-84-6 | HSD17B4 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA | increases^expression | 22016648 |
| 24 | 119-84-6 | HSP90AB1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA | decreases^expression | 22016648 |
| 25 | 119-84-6 | HSPA1A | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA | increases^expression | 22016648 |
| 26 | 119-84-6 | KAP | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of KAP mRNA | decreases^expression | 22016648 |
| 27 | 119-84-6 | OAT | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of OAT mRNA | decreases^expression | 22016648 |
| 28 | 119-84-6 | PEPCK | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA | decreases^expression | 22016648 |
| 29 | 119-84-6 | PRDX1 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA | increases^expression | 22016648 |
| 30 | 119-84-6 | PRDX3 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA | decreases^expression | 22016648 |
| 31 | 119-84-6 | PSMB8 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA | decreases^expression | 22016648 |
| 32 | 119-84-6 | PTPMT1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA | decreases^expression | 22016648 |
| 33 | 119-84-6 | RBP4 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA | decreases^expression | 22016648 |
| 34 | 119-84-6 | SOD1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA | decreases^expression | 22016648 |
| 35 | 119-84-6 | TIMP2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA | decreases^expression | 22016648 |
| 36 | 119-84-6 | TUBB5 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA | decreases^expression | 22016648 |
| 37 | 119-84-6 | DDIT3 | Mus musculus | 3,4-dihydrocoumarin affects the expression of DDIT3 mRNA | affects^expression | 22016648 |
| 38 | 119-84-6 | DNAJA2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of DNAJA2 mRNA | decreases^expression | 22016648 |
| 39 | 119-84-6 | EGF | Mus musculus | 3,4-dihydrocoumarin results in increased expression of EGF mRNA | increases^expression | 22016648 |
| 40 | 119-84-6 | EPHX1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of EPHX1 mRNA | decreases^expression | 22016648 |
| 41 | 119-84-6 | HSD17B4 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSD17B4 mRNA | increases^expression | 22016648 |
| 42 | 119-84-6 | HSP90AB1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of HSP90AB1 mRNA | decreases^expression | 22016648 |
| 43 | 119-84-6 | HSPA1A | Mus musculus | 3,4-dihydrocoumarin results in increased expression of HSPA1A mRNA | increases^expression | 22016648 |
| 44 | 119-84-6 | KAP | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of KAP mRNA | decreases^expression | 22016648 |
| 45 | 119-84-6 | OAT | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of OAT mRNA | decreases^expression | 22016648 |
| 46 | 119-84-6 | PEPCK | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PEPCK mRNA | decreases^expression | 22016648 |
| 47 | 119-84-6 | PRDX1 | Mus musculus | 3,4-dihydrocoumarin results in increased expression of PRDX1 mRNA | increases^expression | 22016648 |
| 48 | 119-84-6 | PRDX3 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PRDX3 mRNA | decreases^expression | 22016648 |
| 49 | 119-84-6 | PSMB8 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PSMB8 mRNA | decreases^expression | 22016648 |
| 50 | 119-84-6 | PTPMT1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of PTPMT1 mRNA | decreases^expression | 22016648 |
| 51 | 119-84-6 | RBP4 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of RBP4 mRNA | decreases^expression | 22016648 |
| 52 | 119-84-6 | SOD1 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of SOD1 mRNA | decreases^expression | 22016648 |
| 53 | 119-84-6 | TIMP2 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TIMP2 mRNA | decreases^expression | 22016648 |
| 54 | 119-84-6 | TUBB5 | Mus musculus | 3,4-dihydrocoumarin results in decreased expression of TUBB5 mRNA | decreases^expression | 22016648 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 119-84-6 | 1,2-Benzodihydropyrone |
Compound Image
2D Structure
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