Bioactive Compound Details

BioIDbio212
NameKHAYASIN C
ChEMBL IDCHEMBL3039238
Molecular FormulaC30H38O8
Molecular Weight526.63
Molecular Weight (Monoisotopic)526.2567
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCCC(=O)OC1[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@](C)(C2=O)[C@@H](CC(=O)OC)C1(C)C
InchiInChI=1S/C30H38O8/c1-7-22(31)37-27-18-12-17-19(30(5,25(18)34)21(28(27,2)3)14-23(32)35-6)8-10-29(4)20(17)13-24(33)38-26(29)16-9-11-36-15-16/h9,11,15,18-19,21,26-27H,7-8,10,12-14H2,1-6H3/t18-,19?,21+,26+,27?,29-,30-/m1/s1
Inchi KeySXDJQLIGPRXBTP-FWRVHKANSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.81
Records Key['KHAYASIN C']
Records Name['KHAYASIN C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure