(R,Z)-2-Methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol
PubChem CID: 91710638
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-.beta.-Curcumen-12-ol, .beta.-(Z)-Curcumen-12-ol, ZHWZEHFYKZGQFR-MECSIWFOSA-N, (R,Z)-2-Methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol, 2-Hepten-1-ol, 2-methyl-6-(4-methyl-1,4-cyclohexadien-1-yl)-, (2Z,6R)- |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Bisabolane sesquiterpenoids |
| Deep Smiles | C[C@@H]C=CCC=CC6))C)))))CC/C=CCO))/C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,6R)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C1=CCC=CC1 |
| Inchi Key | ZHWZEHFYKZGQFR-MECSIWFOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (z)-β-curcumen-12-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C, CC=C(C)C, CO |
| Compound Name | (R,Z)-2-Methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3/b13-5-/t14-/m1/s1 |
| Smiles | CC1=CCC(=CC1)[C@H](C)CC/C=C(/C)\CO |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644011