Androstane
PubChem CID: 6857536
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| Compound Synonyms | Androstane, 24887-75-0, 5 alpha-androstane, Androstane (VAN), CHEBI:35509, DTXSID40179587, (8S-(8alpha,9beta,10alpha,13alpha,14beta))-Hexadecahydro-10,13-dimethyl-1H-cyclopenta(a)phenanthrene, 1H-Cyclopenta(a)phenanthrene, hexadecahydro-10,13-dimethyl-, (8S-(8alpha,9beta,10alpha,13alpha,14beta))-, 1H-Cyclopenta[a]phenanthrene, hexadecahydro-10,13-dimethyl-, [8S-(8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.)]-, ANDROSTANE [MI], 5beta,14beta-Androstane, 5.beta.,14.beta.-Androstane, 5.alpha.,14.beta.-Androstane, 5alphaAndrostane, Androstane, (5.beta.,14.beta.)-, 5alpha-Androstan, Androstane, (5.alpha.,14.beta.)-, Androstane, (5alpha), 5alpha,14alphaAndrostane, 5alpha,14beta-Androstane, Androstane, (5beta,14beta)-, Androstane, (5alpha,14beta)-, DTXCID00102078, (8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene, Q2846975, 207-116-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Np Classifier Class | Androstane steroids |
| Deep Smiles | C[C@]CCCCC6CC[C@@H][C@@H]%10CC[C@][C@H]6CCC5))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Androstane steroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H32 |
| Scaffold Graph Node Bond Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Inchi Key | QZLYKIGBANMMBK-FZFXZXLVSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | androstane |
| Esol Class | Poorly soluble |
| Compound Name | Androstane |
| Exact Mass | 260.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 260.5 |
| Gi Absorption | False |
| 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/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1 |
| Smiles | C[C@@]12CCC[C@H]1[C@@H]3CCC4CCCC[C@@]4([C@H]3CC2)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Steroids |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1278183