Bioactive Compound Details

BioIDbio199958
Name3-DETIGLOYL-2-HYDROXYISOSWIETENINE
ChEMBL IDCHEMBL2271721
Molecular FormulaC27H34O9
Molecular Weight502.56
Molecular Weight (Monoisotopic)502.2203
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCOC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)[C@]2(O)C=C3[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
InchiInChI=1S/C27H34O9/c1-24(2)19(18(29)21(30)34-5)26(4)15-6-8-25(3)16(14(15)11-27(33,22(24)31)23(26)32)10-17(28)36-20(25)13-7-9-35-12-13/h7,9,11-12,15-16,18-20,22,29,31,33H,6,8,10H2,1-5H3/t15-,16-,18+,19-,20-,22-,25+,26+,27+/m0/s1
Inchi KeyPNKOQRJYCSGNCT-RYSWVCPTSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.5
Records Key['24']
Records Name['3-detigloyl-2-hydroxyisoswietenine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure