(7,7-Dimethyl-2-methylidene-6-tricyclo[6.2.1.01,5]undecanyl)methanol
PubChem CID: 15825508
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| 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 | CC1CCC2CCC3CCC12C3 |
| Np Classifier Class | Patchoulane sesquiterpenoids |
| Deep Smiles | OCCCCCC=C)C5CCCC%10C)C))C5 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CCC3CCC12C3 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7,7-dimethyl-2-methylidene-6-tricyclo[6.2.1.01,5]undecanyl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC2CCC3CCC12C3 |
| Inchi Key | BDRJJYPGRSKGEP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | isokhusimol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | (7,7-Dimethyl-2-methylidene-6-tricyclo[6.2.1.01,5]undecanyl)methanol |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-10-4-5-12-13(9-16)14(2,3)11-6-7-15(10,12)8-11/h11-13,16H,1,4-9H2,2-3H3 |
| Smiles | CC1(C2CCC3(C2)C(C1CO)CCC3=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172362140