Bioactive Compound Details

BioIDbio41
NameISOMARCHANTIN C
ChEMBL IDCHEMBL462746
Molecular FormulaC28H24O4
Molecular Weight424.5
Molecular Weight (Monoisotopic)424.1675
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIsomarchantin C
SmilesOc1ccc2cc1Oc1ccc(cc1)CCc1cccc(c1)Oc1c(O)cccc1CC2
InchiInChI=1S/C28H24O4/c29-25-16-12-21-9-13-22-4-2-6-26(30)28(22)32-24-5-1-3-20(17-24)8-7-19-10-14-23(15-11-19)31-27(25)18-21/h1-6,10-12,14-18,29-30H,7-9,13H2
Inchi KeyNTXTVDLVUWOMKO-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities6.0
Np Likeness Score2.01
Records Key['7', '7', 'IMC', '210']
Records Name['isomarchantin C', 'Isomarchantin C', 'Isomarchantin C', 'Isomarchantin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure