beta-Copaen-4-alpha-ol
PubChem CID: 6431225
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| Compound Synonyms | .beta.-Copaen-4-.alpha.-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 | CC1CCC2C(C1)CC1CC12 |
| Np Classifier Class | Copaane sesquiterpenoids |
| Deep Smiles | C=CCCCCC6)[C@]O)CC)C))CC5C)C3 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2C(C1)CC1CC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-1a-methyl-4-methylidene-6-propan-2-yl-1b,2,3,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-6-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1CCC2C(C1)CC1CC12 |
| Inchi Key | CHFHDTRINHGRJJ-ZPWMNFGTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | beta-copaen-4-alpha-ol, beta-copaen-4alpha-ol, β -copaen-4-α-ol, β-copaen-4-α-ol, β-copaen-4α- ol, β-copaen-4α-ol, β-copaen4-α-ol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | beta-Copaen-4-alpha-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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-9(2)15(16)12-7-10(3)5-6-11(12)14(4)8-13(14)15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m1/s1 |
| Smiles | CC(C)[C@]1(C2CC(=C)CCC2C3(C1C3)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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