3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (-)-
PubChem CID: 14093951
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| Compound Synonyms | Humulol, 3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (-)-, 24405-58-1, CHEBI:189799, ZLMAVMBYWKVCLV-IMWXLZLDSA-N, DTXSID201217284, (3E,7E)-1,5,5,8-Tetramethylcycloundeca-3,7-dienol, 3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (3E,7E)-, 3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (E,E)-, (3E,7E)-1,5,5,8-TETRAMETHYLCYCLOUNDECA-3,7-DIEN-1-OL |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCCCCCCC1 |
| Np Classifier Class | Humulane sesquiterpenoids |
| Deep Smiles | C/C=CCCC)C)/C=C/CCCCC%11)))C)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of hop oil. Humulol is found in alcoholic beverages and fats and oils. |
| Scaffold Graph Node Level | C1CCCCCCCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1=CCCCCCC=CCC1 |
| Inchi Key | ZLMAVMBYWKVCLV-IMWXLZLDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Humulol, humulol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C/C=C/C, CO |
| Compound Name | 3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (-)- |
| Kingdom | Organic compounds |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+ |
| Smiles | C/C/1=C\CC(/C=C/CC(CCC1)(C)O)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sesquiterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
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