Bioactive Compound Details

BioIDbio1715
NameNone
ChEMBL IDCHEMBL2203610
Molecular FormulaC31H46O5
Molecular Weight498.7
Molecular Weight (Monoisotopic)498.3345
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms29-Hydroxypolyporenicacid C
SmilesC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(CO)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InchiInChI=1S/C31H46O5/c1-18(2)19(3)8-9-20(27(35)36)26-23(33)16-31(7)22-10-11-24-28(4,21(22)12-15-30(26,31)6)14-13-25(34)29(24,5)17-32/h10,12,18,20,23-24,26,32-33H,3,8-9,11,13-17H2,1-2,4-7H3,(H,35,36)/t20-,23-,24-,26+,28-,29?,30-,31+/m1/s1
Inchi KeyWMGIVNDVJFWFEU-ALDBTFKVSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.64
Records Key['100']
Records Name['29-hydroxypolyporenic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure