Summary
IMPPAT Phytochemical identifier: IMPHY017677
Phytochemical name: Androstane
Synonymous chemical names:androstane
External chemical identifiers:CID:6857536, ChEBI:35509, SureChEMBL:SCHEMBL157802
Chemical structure information
SMILES:
C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)CInChI:
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/s1InChIKey:
QZLYKIGBANMMBK-FZFXZXLVSA-NDeepSMILES:
C[C@]CCCCC6CC[C@@H][C@@H]%10CC[C@][C@H]6CCC5))))C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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: 2.354
Chemical structure download
