Bioactive Compound Details

BioIDbio199798
NameNone
ChEMBL IDCHEMBL204155
Molecular FormulaC20H26O5
Molecular Weight346.42
Molecular Weight (Monoisotopic)346.178
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsHelenalin-2-Methylbutyrate
SmilesC=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H](OC(=O)C(C)CC)[C@H]12
InchiInChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h7-8,10-11,13-14,16-17H,4,6,9H2,1-3,5H3/t10?,11-,13+,14-,16-,17-,20+/m1/s1
Inchi KeyIFEHNUQNAATZSJ-MXCJSKHRSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.35
Records Key['N2']
Records Name['helenalin-2-methylbutyrate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure