Bioactive Compound Details

BioIDbio198132
NameNone
ChEMBL IDCHEMBL2165467
Molecular FormulaC25H26O7
Molecular Weight438.48
Molecular Weight (Monoisotopic)438.1679
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms7-(2-Propylidene)Desoxypodophyllotoxin
SmilesCOc1cc([C@@H]2c3cc4c(cc3C(=C(C)C)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC
InchiInChI=1S/C25H26O7/c1-12(2)21-14-8-17-18(32-11-31-17)9-15(14)22(23-16(21)10-30-25(23)26)13-6-19(27-3)24(29-5)20(7-13)28-4/h6-9,16,22-23H,10-11H2,1-5H3/t16-,22-,23-/m1/s1
Inchi KeyJWJRWBXUKHGZKS-ZGNKEGEESA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities5.0
Np Likeness Score1.2
Records Key['19']
Records Name['7-(2-Propylidene)desoxypodophyllotoxin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure