Bioactive Compound Details

BioIDbio668
NamePHORBASTERONE C
ChEMBL IDCHEMBL465349
Molecular FormulaC30H46O4
Molecular Weight470.69
Molecular Weight (Monoisotopic)470.3396
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPhorbasterone C
SmilesCCC(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(=O)[C@](O)(C(=O)OC)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InchiInChI=1S/C30H46O4/c1-8-20(18(2)3)10-9-19(4)22-13-14-23-21-11-12-25-26(31)30(33,27(32)34-7)17-29(25,6)24(21)15-16-28(22,23)5/h9-10,12,18-24,33H,8,11,13-17H2,1-7H3/b10-9+/t19-,20?,21+,22-,23+,24+,28-,29-,30+/m1/s1
Inchi KeyJMZDYHRDCBFTBL-OZRQHJEASA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.81
Records Key['5, 24-epimeric mixture']
Records Name['Phorbasterone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure