Bioactive Compound Details

BioIDbio110
NameDAPHNODORIN C
ChEMBL IDCHEMBL2273053
Molecular FormulaC30H22O9
Molecular Weight526.5
Molecular Weight (Monoisotopic)526.1264
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesO=C1c2c(O)cc(O)cc2O[C@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)CC3)O[C@H]2c1ccc(O)cc1
InchiInChI=1S/C30H22O9/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)37-22)30(29(38-24)15-3-7-17(32)8-4-15)28(36)25-21(35)11-18(33)12-23(25)39-30/h1-8,11-13,22,29,31-35H,9-10H2/t22-,29-,30+/m0/s1
Inchi KeyISQNBCHHDNWNEQ-TVNVSJRUSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities14.0
Np Likeness Score1.66
Records Key['3']
Records Name['Daphnodorin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure