Bioactive Compound Details

BioIDbio207
NameTRIGONOSIN C
ChEMBL IDCHEMBL1765394
Molecular FormulaC34H40O10
Molecular Weight608.68
Molecular Weight (Monoisotopic)608.2621
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTrigonosin C
SmilesC=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](O)[C@@](C)(O)[C@@H](O)[C@@]4(O)[C@@H](C[C@H](C)[C@@H]4O)[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)c1ccccc1
InchiInChI=1S/C34H40O10/c1-17(2)32-26(41-28(37)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,40)29(38)30(5,39)25(36)23(33)27(32)42-34(43-32,44-33)21-14-10-7-11-15-21/h6-15,18-19,22-27,29,35-36,38-40H,1,16H2,2-5H3/t18-,19+,22+,23-,24-,25-,26-,27+,29+,30+,31+,32-,33-,34?/m0/s1
Inchi KeyQAXWNKPPCNIRQP-XAKMMCORSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.71
Records Key['3']
Records Name['Trigonosin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure