Bioactive Compound Details

BioIDbio560
NameGARCIVILIN C
ChEMBL IDCHEMBL499445
Molecular FormulaC36H28O10
Molecular Weight620.61
Molecular Weight (Monoisotopic)620.1682
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGarcivilin C
SmilesCC1=C[C@@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1
InchiInChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36-/m0/s1
Inchi KeyXYRCPMXSIHHGSO-VDSQSLJXSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score1.63
Records Key['5']
Records Name['Garcivilin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure