Isoborneol Details
:
IUPAC Name
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
:Chemical Class
:CAS Registry Number
10385-78-1
:Description
:Fragrance Type
must
Physical and Chemical properties
| PUBCHEM ID | 64685 |
| Molecular Weight (g/mol) | 154.249 |
| Molecular Formula | C10H18O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
| Canonical SMILES | CC1(C)C2CCC1(C)C(O)C2 |
| PUBCHEM IUPAC INCHIKEY | DTGKSKDOIYIVQL-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -1.236 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.975 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 2.92751 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | 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 | 10385-78-1 | ABCB1A | Rattus norvegicus | benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] | decreases^expression|decreases^reaction | 26593909 |
| 2 | 10385-78-1 | ABCB1A | Rattus norvegicus | isoborneol results in decreased expression of ABCB1A mRNA | decreases^expression | 26593909 |
| 3 | 10385-78-1 | ABCB1A | Rattus norvegicus | isoborneol results in decreased expression of ABCB1A protein | decreases^expression | 26593909 |
| 4 | 10385-78-1 | ABCB1A | Rattus norvegicus | SN50 peptide inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] | decreases^expression|decreases^reaction | 26593909 |
| 5 | 10385-78-1 | CYP2B1 | Rattus norvegicus | isoborneol results in increased expression of CYP2B1 mRNA | increases^expression | 27889497 |
| 6 | 10385-78-1 | GABRA1 | Homo sapiens | isoborneol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB2 protein binds to GABRG2 protein]] | affects^binding|increases^activity|increases^reaction | 15588619 |
| 7 | 10385-78-1 | UGT2B7 | Homo sapiens | isoborneol inhibits the reaction [UGT2B7 results in increased susceptibility to Clofibric Acid] | decreases^reaction|increases^response to substance | 17880178 |
| 8 | 10385-78-1 | ABCB1A | Rattus norvegicus | benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] | decreases^expression|decreases^reaction | 26593909 |
| 9 | 10385-78-1 | ABCB1A | Rattus norvegicus | isoborneol results in decreased expression of ABCB1A mRNA | decreases^expression | 26593909 |
| 10 | 10385-78-1 | ABCB1A | Rattus norvegicus | isoborneol results in decreased expression of ABCB1A protein | decreases^expression | 26593909 |
| 11 | 10385-78-1 | ABCB1A | Rattus norvegicus | SN50 peptide inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] | decreases^expression|decreases^reaction | 26593909 |
| 12 | 10385-78-1 | CYP2B1 | Rattus norvegicus | isoborneol results in increased expression of CYP2B1 mRNA | increases^expression | 27889497 |
| 13 | 10385-78-1 | GABRA1 | Homo sapiens | isoborneol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB2 protein binds to GABRG2 protein]] | affects^binding|increases^activity|increases^reaction | 15588619 |
| 14 | 10385-78-1 | UGT2B7 | Homo sapiens | isoborneol inhibits the reaction [UGT2B7 results in increased susceptibility to Clofibric Acid] | decreases^reaction|increases^response to substance | 17880178 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 10385-78-1 | Isoborneol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Citronella | Cymbopogon nardus essential oil | ||
| 2 | Gum rockrose | Cistus ladanifer essential oil | ||
| 3 | Gum rockrose | Cistus ladanifer ESSENTIAL OIL | ||
| 4 | Sweet wormwood, Quinghao | Jeevanraksha | Artemisia annua Jeevanraksha essential oil | |
| 5 | Chikras | Chukrasia tabularis essential oil | ||
| 6 | Narrow-leaved turmeric | Curcuma angustifolia essential oil |
Compound Image
2D Structure
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