PUBCHEM ID | 445639 |
CAS Registry Number | 0.0 |
Aroma Threshold | 0.0 |
Molecular Weight (g/mol) | 282.461 |
Molecular Formula | C18H34O2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 15 |
IUPAC Name | (Z)-octadec-9-enoic acid |
Canonical SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O |
PUBCHEM IUPAC INCHIKEY | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
Solubility Level | 2 |
Vapour Pressure | -5.954 |
XLOGP3 AA | |
CACTVS TPSA | 37.3 |
BBB Level | 4 |
Absorption Level | 2 |
EXT PPB#Prediction | 1 |
AlogP98 | 6.86 |
EXT CYP2D6#Prediction | 0 |
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 | 6.68692 g/kg_body_weight |
Ocular Irritancy | None |
Hepatotoxic#Prediction | 0 |
Effected Human Genes | BAAT, FABP6, FASN, DDC, FABP3, SLC27A1, ALB, FABP2, FABP1, FABP4, FAAH, ACSL1, LIPA, PPARG, SCD, CES1, PPARA, PLA2G6, ACOT8, INS, PLA2G2A, LPL, FABP5, FFAR1, CEL |
Aerobic Biodegradability Prediction | Degradable |
Physical hazards | not classified |
Health hazards | Moderate |
Environmental hazards | not classified |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 112-80-1 | Oleic Acid |
Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
---|---|---|---|---|
1 | Psyllium, isabgol or isabhghula | Niharika | Plantago ovata Niharika essential oil | |
2 | Psyllium, isabgol or isabhghula | Mayuri | Plantago ovata Mayuri | |
3 | Psyllium, isabgol or isabhghula | Nimisha | Plantago ovata Nimisha essential oil |