Bioactive Compound Details

BioIDbio1364
NameTHAILANSTATIN C
ChEMBL IDCHEMBL2331577
Molecular FormulaC30H46ClNO9
Molecular Weight600.15
Molecular Weight (Monoisotopic)599.2861
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsThailanstatin C
SmilesCC(/C=C/[C@H]1O[C@H](CC(=O)O)C[C@@](O)(CCl)[C@@H]1O)=C\C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)C(C)C)C[C@@H]1C
InchiInChI=1S/C30H46ClNO9/c1-17(2)29(37)39-20(5)9-12-26(33)32-23-13-19(4)24(40-21(23)6)10-7-18(3)8-11-25-28(36)30(38,16-31)15-22(41-25)14-27(34)35/h7-9,11-12,17,19-25,28,36,38H,10,13-16H2,1-6H3,(H,32,33)(H,34,35)/b11-8+,12-9-,18-7+/t19-,20-,21+,22+,23+,24-,25+,28+,30+/m0/s1
Inchi KeyIUEAQIHFZAHMMU-WEDQMBCXSA-N
Molecular SpeciesACID
Targets9.0
Bioactivities9.0
Np Likeness Score2.41
Records Key['3', '7']
Records Name['Thailanstatin C', 'Thailanstatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure