Bioactive Compound Details

BioIDbio381
NamePESTALOTIOPSONE C
ChEMBL IDCHEMBL560566
Molecular FormulaC18H22O5
Molecular Weight318.37
Molecular Weight (Monoisotopic)318.1467
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymspestalotiopsone C
SmilesCCCCCCCc1cc(=O)c2c(CC(=O)O)cc(O)cc2o1
InchiInChI=1S/C18H22O5/c1-2-3-4-5-6-7-14-11-15(20)18-12(9-17(21)22)8-13(19)10-16(18)23-14/h8,10-11,19H,2-7,9H2,1H3,(H,21,22)
Inchi KeyFWRNQJDZBAYORW-UHFFFAOYSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.37
Records Key['3, pestalotiopsone C']
Records Name['5-carboxymethyl-2-heptyl-7-hydroxychromone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure