(1R*,2S*,3S*,6S*)-2-Caranol
PubChem CID: 536562
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| Compound Synonyms | (1R*,2S*,3S*,6S*)-2-Caranol, 2-Caraneol, SCHEMBL14984285, RPPLFPVIBFQGJC-UHFFFAOYSA-N, 3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol, 3,7,7-Trimethylbicyclo[4.1.0]heptan-2-ol #, Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1.alpha.,2.alpha.,3.beta.,6.alpha.)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of Zingiber officinale (ginger). (1R*,2S*,3S*,6S*)-2-Caranol is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,7-trimethylbicyclo[4.1.0]heptan-2-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPPLFPVIBFQGJC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1R*,2S*,3S*,6S*)-2-Caranol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4028685999999997 |
| Inchi | InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3 |
| Smiles | CC1CCC2C(C1O)C2(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients