Bioactive Compound Details

BioIDbio197686
Name4ALPHA-BENZYLOXY-2-CHLOROPODOPHYLLOTOXIN
ChEMBL IDCHEMBL2252714
Molecular FormulaC29H27ClO8
Molecular Weight538.98
Molecular Weight (Monoisotopic)538.1394
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC
InchiInChI=1S/C29H27ClO8/c1-32-23-9-17(10-24(33-2)27(23)34-3)25-18-11-21-22(38-15-37-21)12-19(18)26(20-14-36-28(31)29(20,25)30)35-13-16-7-5-4-6-8-16/h4-12,20,25-26H,13-15H2,1-3H3/t20-,25-,26+,29-/m1/s1
Inchi KeyXVGPQPYUVDTDBH-CLIKSALWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score0.84
Records Key['3']
Records Name['4alpha-benzyloxy-2-chloropodophyllotoxin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure