14-Hydroxy-beta-caryophyllene
PubChem CID: 91747526
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| Compound Synonyms | 14-hydroxy-.beta.-caryophyllene, DFMBJBXEHZSTJQ-VZUCSPMQSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(5E)-6,10-dimethyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFMBJBXEHZSTJQ-VZUCSPMQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.224 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.542 |
| Compound Name | 14-Hydroxy-beta-caryophyllene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0176072 |
| Inchi | InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+ |
| Smiles | C/C/1=C\CCC(=C)C2CC(C2CC1)(C)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients