Bioactive Compound Details

BioIDbio197751
Name2-HYDROXYFISSINOLIDE
ChEMBL IDCHEMBL1808137
Molecular FormulaC29H36O9
Molecular Weight528.6
Molecular Weight (Monoisotopic)528.2359
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Hydroxyfissinolide
SmilesCOC(=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
InchiInChI=1S/C29H36O9/c1-15(30)37-25-26(2,3)20(12-21(31)35-6)28(5)18-7-9-27(4)19(17(18)13-29(25,34)24(28)33)11-22(32)38-23(27)16-8-10-36-14-16/h8,10,14,18,20,23,25,34H,7,9,11-13H2,1-6H3/t18-,20-,23-,25-,27+,28+,29-/m0/s1
Inchi KeyXVICTUZGWSSFJE-ZYFLPPHXSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score2.97
Records Key['4', '5']
Records Name['2-hydroxyfissinolide', '2-Hydroxyfissinolide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure