Bioactive Compound Details

BioIDbio1282
NameNone
ChEMBL IDCHEMBL507055
Molecular FormulaC28H36O13
Molecular Weight580.58
Molecular Weight (Monoisotopic)580.2156
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms16-Hydroxysteocholide C Acetate
SmilesCC(=O)O[C@H]1C[C@@H]2O[C@]2(C)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@@]3(C)C(=O)O[C@H]4/C=C(/CO)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]12C
InchiInChI=1S/C28H36O13/c1-12(30)35-17-9-18(36-13(2)31)25(5)19(37-14(3)32)10-20-26(6,40-20)22(25)23(38-15(4)33)28-21(8-16(17)11-29)39-24(34)27(28,7)41-28/h8,17-23,29H,9-11H2,1-7H3/b16-8-/t17-,18+,19+,20+,21+,22-,23-,25+,26+,27+,28+/m1/s1
Inchi KeyIABDUYCYJGIIRD-DPNOJTGXSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.03
Records Key['3']
Records Name['16-hydroxysteocholide C acetate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure