Summary

IMPPAT Phytochemical identifier: IMPHY017182

Phytochemical name: Desoxymethyltestosterone

Synonymous chemical names:
17-methyl-5-á-androst-2-en-17-β-ol

External chemical identifiers:
CID:18651, ChEBI:79620, ZINC:ZINC000004744040, FDASRS:B9E9G5A169, SureChEMBL:SCHEMBL929074

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Chemical structure information

SMILES:
C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C

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

InChIKey:
FRVHJVATKMIOPQ-PAPWGAKMSA-N

DeepSMILES:
C[C@]CC=CC[C@@H]6CC[C@@H][C@@H]%10CC[C@][C@H]6CC[C@]5C)O)))))C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Androstane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Androstane steroids

NP-Likeness score: 2.146

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Chemical structure download