Bioactive Compound Details

BioIDbio83468
NameHOMAXISTEROL A1
ChEMBL IDCHEMBL517547
Molecular FormulaC31H52O3
Molecular Weight472.75
Molecular Weight (Monoisotopic)472.3916
TypeSmall molecule
Max Phase--
Target IDTar54
Target NameNone
SynonymsHomaxisterol A1
SmilesCCCCO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
InchiInChI=1S/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26+,27+,28-,29-,30-,31+/m1/s1
Inchi KeyQLOAJHDVIXGFQK-VMVORBMISA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.03
Records Key['6, Homaxisterol A1']
Records Name['(22E)-6-O-butylcholesta-7,22-diene-3beta,5alpha,6beta-triol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure