Desoxymethyltestosterone
PubChem CID: 18651
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| Compound Synonyms | Desoxymethyltestosterone, Madol, 3275-64-7, Pheraplex, Ba 2665, NSC 63329, Sc 11977, 17-Methyl-5-alpha-androst-2-en-17-beta-ol, Desoxymethyltesterone, UNII-B9E9G5A169, NSC-63329, 5-alpha-ANDROST-2-EN-17-beta-OL, 17-METHYL-, Androst-2-en-17-ol, 17-methyl-, (5-alpha,17-beta)-, (5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol, 17-alpha-Methyl-(5-alpha)-delta(sup 2)-androstene-17-beta-ol, DTXSID50872931, B9E9G5A169, BA-2665, SC-11977, 17-alpha-5-alpha-androst-2-en-17beta-ol, 17.ALPHA.-METHYL-ETIOALLOCHOLAN-2-ENE-17.BETA.-OL, Madol (1.0mg/ml in Acetonitrile), 17.BETA.-HYDROXY-17.ALPHA.-METHYL-5.ALPHA.-ANDROST-2-ENE, ANDROST-2-EN-17-OL, 17-METHYL-, (5.ALPHA.,17.BETA.)-, (5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol, 17-methylandrost-2-en-17-ol, 17-Methyl-5-.alpha.-androst-2-en-17-.beta.-ol, 5-.alpha.-Androst-2-en-17-.beta.-ol, 17-methyl-, Androst-2-en-17-ol, 17-methyl-, (5-.alpha.,17-.beta.)-, SCHEMBL929074, 17-.alpha.-Methyl-(5-.alpha.)-.delta.(sup 2)-androstene-17-.beta.-ol, Androst-2-en-17-ol, 17-methyl-, (5alpha,17beta)-, CHEBI:79620, DTXCID90820471, NSC63329, DB-214992, 17alpha-methyl-5alpha-androst-2-ene-17-ol, NS00068004, Q904694, 17ALPHA-METHYL-ETIOALLOCHOLAN-2-ENE-17BETA-OL, 17BETA-HYDROXY-17ALPHA-METHYL-5ALPHA-ANDROST-2-ENE |
|---|---|
| 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 | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Np Classifier Class | Androstane steroids |
| Deep Smiles | C[C@]CC=CC[C@@H]6CC[C@@H][C@@H]%10CC[C@][C@H]6CC[C@]5C)O)))))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Androstane steroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H32O |
| Scaffold Graph Node Bond Level | C1=CCC2C(C1)CCC1C3CCCC3CCC21 |
| Inchi Key | FRVHJVATKMIOPQ-PAPWGAKMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 17-methyl-5-á-androst-2-en-17-β-ol |
| Esol Class | Moderately soluble |
| Functional Groups | CC=CC, CO |
| Compound Name | Desoxymethyltestosterone |
| Exact Mass | 288.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 288.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1 |
| Smiles | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC=CC4)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 Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793975