trans-3(10)-Caren-2-ol
PubChem CID: 572861
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| Compound Synonyms | trans-3(10)-Caren-2-ol, 7,7-dimethyl-3-methylidenebicyclo[4.1.0]heptan-2-ol, 7,7-dimethyl-3-methylidenebicyclo(4.1.0)heptan-2-ol, CHEBI:229445, 7,7-Dimethyl-3-methylenebicyclo[4.1.0]heptan-2-ol #, 6909-15-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC2C1 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | C=CCCCCC6O))C3C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CCC2CC2C1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7-dimethyl-3-methylidenebicyclo[4.1.0]heptan-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C=C1CCC2CC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJAJJCQIFGPPLA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 0.0 |
| Synonyms | trans-3(10)-carene-2-ol |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | trans-3(10)-Caren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.9808693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h7-9,11H,1,4-5H2,2-3H3 |
| Smiles | CC1(C2C1C(C(=C)CC2)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574 - 3. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all