Bioactive Compound Details

BioIDbio974
NameCORNUSALTERIN C
ChEMBL IDCHEMBL2069126
Molecular FormulaC31H54O2
Molecular Weight458.77
Molecular Weight (Monoisotopic)458.4124
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCornusalterin C
SmilesCOC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
InchiInChI=1S/C31H54O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-26,32H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25?,26-,29+,30-,31+/m0/s1
Inchi KeyAHAJUDPVPSLOAM-MCTQLSMQSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score3.13
Records Key['3']
Records Name['Cornusalterin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure