Bioactive Compound Details

BioIDbio199689
Name(-)-2-EPI-BOTRYODIPLODINENONE
ChEMBL IDCHEMBL2251622
Molecular FormulaC14H22O4
Molecular Weight254.33
Molecular Weight (Monoisotopic)254.1518
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC=C(C(C)=O)[C@@H](C)CO[C@@H]1OC[C@@H](C(C)=O)[C@H]1C
InchiInChI=1S/C14H22O4/c1-8(9(2)11(4)15)6-17-14-10(3)13(7-18-14)12(5)16/h8,10,13-14H,2,6-7H2,1,3-5H3/t8-,10+,13+,14+/m0/s1
Inchi KeyGHCKVZSVLOKTII-OUJOLJPFSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.46
Records Key['(-)-2-epi-Botryodiplodinenone']
Records Name['(-)-2-epi-Botryodiplodinenone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure