Verticiol
PubChem CID: 5377475
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Verticiol, Verticillol, CQWSCMMFUZYKBO-KUONJXJVSA-N, 4,8,12,15,15-Pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol l-, (1R,3E,7E,11R,12R)-, Bicyclo[9.3.1]pentadeca-3,7-dien-12-ol, 4,8,12,15,15-pentamethyl-, (1R,3E,7E,11R,12R)-, Bicyclo[9.3.1]pentadeca-3,7-dien-12-ol, 4,8,12,15,15-pentamethyl-, [1R-(1R*,3E,7E,11R*,12R*)]- |
|---|---|
| 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 | C1CCCCC2CCCC(CCCC1)C2 |
| Np Classifier Class | Verticillane diterpenoids |
| Deep Smiles | C/C=CCCCCCCC6C)C))CC/C=CCC%14)))/C)))))C)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC2CCCC(CCCC1)C2 |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H34O |
| Scaffold Graph Node Bond Level | C1=CCCC2CCCC(CC=CCC1)C2 |
| Inchi Key | CQWSCMMFUZYKBO-MVTUEYSXSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | verticiol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, C/C=C(C)C, CO |
| Compound Name | Verticiol |
| Exact Mass | 290.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 290.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| 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- |
| Smiles | C/C/1=C/CC/C(=C/CC2CCC(C(C2(C)C)CC1)(C)O)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ammi Visnaga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.912164 - 2. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644014 - 3. Outgoing r'ship
FOUND_INto/from Isodon Rugosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644014 - 4. Outgoing r'ship
FOUND_INto/from Solidago Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644103 - 5. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644014