Bioactive Compound Details

BioIDbio280
NameTRIGOXYPHIN C
ChEMBL IDCHEMBL1172564
Molecular FormulaC36H38O10
Molecular Weight630.69
Molecular Weight (Monoisotopic)630.2465
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTrigoxyphin C
SmilesC=C(C)[C@@]12OC3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(C)[C@@H](OC(C)=O)[C@]4(O)C(=O)[C@@H](C)C[C@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)c1ccccc1
InchiInChI=1S/C36H38O10/c1-18(2)34-27(42-30(39)22-13-9-7-10-14-22)20(4)35-24-17-19(3)26(38)33(24,40)31(41-21(5)37)32(6)28(43-32)25(35)29(34)44-36(45-34,46-35)23-15-11-8-12-16-23/h7-16,19-20,24-25,27-29,31,40H,1,17H2,2-6H3/t19-,20+,24+,25-,27-,28-,29+,31+,32-,33+,34-,35-,36?/m0/s1
Inchi KeyOBZYCBUZPWNMRF-WRTMJFSTSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.74
Records Key['3']
Records Name['Trigoxyphin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure