Bioactive Compound Details

BioIDbio197
NameSECO-COCCINIC ACID C
ChEMBL IDCHEMBL519580
Molecular FormulaC30H48O4
Molecular Weight472.71
Molecular Weight (Monoisotopic)472.3553
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSeco-coccinic acid C
SmilesC=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InchiInChI=1S/C30H48O4/c1-19(2)22-9-10-25-24(28(22,6)14-13-26(32)33)12-16-29(7)23(11-15-30(25,29)8)20(3)17-21(31)18-27(4,5)34/h10,20,22-24,34H,1,9,11-18H2,2-8H3,(H,32,33)/t20-,22+,23-,24+,28+,29-,30+/m1/s1
Inchi KeyRUOXENRTLGLVCZ-HGFRCQJKSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score3.09
Records Key['3, Seco-coccinic acid C']
Records Name['25-hydroxy-23-oxo-3,4-seco-9betaH-lanost-4(28),7-dien-3-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure