Bioactive Compound Details

BioIDbio735
NameNone
ChEMBL IDCHEMBL502917
Molecular FormulaC35H42O10
Molecular Weight622.71
Molecular Weight (Monoisotopic)622.2778
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms1-Hydroxy Taxuspine C
SmilesC=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@](O)([C@@H](OC(C)=O)[C@@]132)C4(C)C
InchiInChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1
Inchi KeyXQLJYGLHZIUECS-GLESJUERSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.15
Records Key['75, 3,11-cyclotaxinine NN-2']
Records Name['1-hydroxy taxuspine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure