11alphaH-Himachal-4-en-1beta-ol
PubChem CID: 91748861
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| Compound Synonyms | ORJBXKUKZNDFLV-QUINOFQRSA-N, 11.alpha.H-Himachal-4-en-1.beta.-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 | C1CCC2CCCCC2CC1 |
| Np Classifier Class | Himachalane sesquiterpenoids |
| Deep Smiles | CCC[C@@H]O)[C@@H]C=C6)CC)C)CCCC7C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2CCCCC2CC1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,9aS)-3,5,5,9-tetramethyl-1,2,3,6,7,8,9,9a-octahydrobenzo[7]annulen-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1=C2CCCCCC2CCC1 |
| Inchi Key | ORJBXKUKZNDFLV-QUINOFQRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 11-αh-himachala-1,4-diene |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 11alphaH-Himachal-4-en-1beta-ol |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-10-8-12-14(13(16)9-10)11(2)6-5-7-15(12,3)4/h8,10-11,13-14,16H,5-7,9H2,1-4H3/t10?,11?,13-,14+/m1/s1 |
| Smiles | CC1CCCC(C2=CC(C[C@H]([C@@H]12)O)C)(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 Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001