Bioactive Compound Details

BioIDbio916
NameREMANGILONE C
ChEMBL IDCHEMBL454824
Molecular FormulaC28H40O3
Molecular Weight424.63
Molecular Weight (Monoisotopic)424.2977
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRemangilone C
SmilesCC1=C(O)C(=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@@H]5C(=O)C[C@@]4(C)[C@]3(C)CC[C@@H]12
InchiInChI=1S/C28H40O3/c1-16-19-10-12-27(5)23(26(19,4)14-22(30)24(16)31)8-7-20-18-13-25(2,3)11-9-17(18)21(29)15-28(20,27)6/h7,17-19,23,31H,8-15H2,1-6H3/t17-,18+,19-,23+,26-,27+,28+/m0/s1
Inchi KeyDDLHISCCNYFWOT-PSSYVLGHSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score3.01
Records Key['3']
Records Name['remangilone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure