Bioactive Compound Details

BioIDbio199160
NameNone
ChEMBL IDCHEMBL519703
Molecular FormulaC19H24O5
Molecular Weight332.4
Molecular Weight (Monoisotopic)332.1624
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Alpha-Hydroxynagilactone|2-Hydroxy Nagilactone F
SmilesCC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13
InchiInChI=1S/C19H24O5/c1-9(2)15-11-5-13-16-18(3,12(11)6-14(21)24-15)7-10(20)8-19(16,4)17(22)23-13/h5-6,9-10,13,15-16,20H,7-8H2,1-4H3/t10-,13-,15-,16-,18-,19+/m1/s1
Inchi KeyKEXSMNABMQFSDY-DEIJXFBXSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities11.0
Np Likeness Score3.12
Records Key['1', '4']
Records Name['2-alpha-hydroxynagilactone', '2-hydroxy nagilactone F']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure