(+)-Verticillol
PubChem CID: 15119671
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Verticillol, (1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol, (1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo(9.3.1)pentadeca-3,7-dien-12-ol, CHEBI:193199, LMPR0104380001 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,3E,7E,11R,12R)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C20H34O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQWSCMMFUZYKBO-CXFBFUJHSA-N |
| Fcsp3 | 0.8 |
| Logs | -6.235 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.196 |
| Compound Name | (+)-Verticillol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.6083441999999994 |
| Inchi | InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,18+,20+/m0/s1 |
| Smiles | C/C/1=C\CC/C(=C/C[C@H]2CC[C@@]([C@@H](C2(C)C)CC1)(C)O)/C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients