Bioactive Compound Details

BioIDbio1578
NameNone
ChEMBL IDCHEMBL447017
Molecular FormulaC28H32O9
Molecular Weight512.56
Molecular Weight (Monoisotopic)512.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms25,26-Epidihydrophysalin C
SmilesC[C@@H]1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3CC=C2CC=CC(=O)[C@@]21C
InchiInChI=1S/C28H32O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,13,15-16,18-19,33-34H,6,9-12H2,1-4H3/t13-,15+,16-,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1
Inchi KeyPOINQMARFYABME-ILWTWGIQSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.7
Records Key['2']
Records Name['25,26-Epidihydrophysalin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure