Acora-2,4(15)-dien-11-ol
PubChem CID: 6429204
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| Compound Synonyms | Acora-2,4(15)-dien-11-ol, RWWKEKDASZBAER-IPYPFGDCSA-N |
|---|---|
| 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 | CC1CCC2(CCCC2)CC1 |
| Np Classifier Class | Acorane sesquiterpenoids |
| Deep Smiles | C=CCC[C@@]C=C6))[C@H]C)CC[C@H]5CO)C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CCC2(CCCC2)CC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 2-[(1R,4R,5S)-1-methyl-8-methylidenespiro[4.5]dec-9-en-4-yl]propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O |
| Scaffold Graph Node Bond Level | C=C1C=CC2(CCCC2)CC1 |
| Inchi Key | RWWKEKDASZBAER-IPYPFGDCSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | acorα-2,4(15)-dien-11-ol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C=CC, CO |
| Compound Name | Acora-2,4(15)-dien-11-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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,9,12-13,16H,1,5-6,8,10H2,2-4H3/t12-,13+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@@]12CCC(=C)C=C2)C(C)(C)O |
| 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 Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<15::aid-ffj777>3.0.co;2-m