(1R,3aR,5aS,9aS,9bR,11aR)-6,6,9a,11a-tetramethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
PubChem CID: 101317819
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Np Classifier Class | Pimarane and Isopimarane diterpenoids |
| Deep Smiles | O[C@H]CO[C@H][C@]5C)CC[C@H]C6=CC[C@@H][C@]6C)CCCC6C)C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C2CCC2CCOC21 |
| Classyfire Subclass | Hydroxysteroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,3aR,5aS,9aS,9bR,11aR)-6,6,9a,11a-tetramethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H32O2 |
| Scaffold Graph Node Bond Level | C1=C2C(CCC3CCOC23)C2CCCCC2C1 |
| Inchi Key | GONONOLUAHKEEZ-FKAIMOKRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | premnenol |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, CO, COC |
| Compound Name | (1R,3aR,5aS,9aS,9bR,11aR)-6,6,9a,11a-tetramethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H32O2/c1-18(2)9-5-10-19(3)14-8-11-20(4)16(21)12-22-17(20)13(14)6-7-15(18)19/h6,14-17,21H,5,7-12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m0/s1 |
| Smiles | C[C@]12CCCC([C@@H]1CC=C3[C@@H]2CC[C@]4([C@@H]3OC[C@@H]4O)C)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
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