Bioactive Compound Details

BioIDbio199037
NameNone
ChEMBL IDCHEMBL465559
Molecular FormulaC20H22O5
Molecular Weight342.39
Molecular Weight (Monoisotopic)342.1467
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-Epicycloisobrachycoumarinone Epoxide
SmilesCc1cccc2oc(=O)c3c(c12)O[C@@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C
InchiInChI=1S/C20H22O5/c1-10-7-6-8-13-14(10)16-15(18(22)24-13)20(5,11(2)23-16)9-12(21)17-19(3,4)25-17/h6-8,11,17H,9H2,1-5H3/t11-,17-,20+/m0/s1
Inchi KeyQMWJPFXMOOPDTD-PJFOTGOESA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score1.73
Records Key['1']
Records Name[2'-epicycloisobrachycoumarinone epoxide"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure