Bioactive Compound Details

BioIDbio877
Name25-HYDROXYPORICOIC ACID C
ChEMBL IDCHEMBL1078371
Molecular FormulaC31H46O5
Molecular Weight498.7
Molecular Weight (Monoisotopic)498.3345
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InchiInChI=1S/C31H46O5/c1-19(2)22-11-12-25-24(29(22,6)16-15-26(32)33)14-18-30(7)23(13-17-31(25,30)8)21(27(34)35)10-9-20(3)28(4,5)36/h12,14,21-23,36H,1,3,9-11,13,15-18H2,2,4-8H3,(H,32,33)(H,34,35)/t21-,22+,23-,29+,30-,31+/m1/s1
Inchi KeyHHZQHKPGFJOQSU-FTCJILOVSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities8.0
Np Likeness Score3.12
Records Key['13, 25-Hydroxyporicoic Acid C']
Records Name['(20zeta)-25-Hydroxy-24-methyl-3,4-seco-lanosta-4(28),7,9(11),24(241)-tetraene-3,21-dioic Acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure