Bioactive Compound Details

BioIDbio555
NameQUIQUELIGNAN C
ChEMBL IDCHEMBL597904
Molecular FormulaC29H30O11
Molecular Weight554.55
Molecular Weight (Monoisotopic)554.1788
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsQuiquelignan C
SmilesCCO[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)Oc1c(OC)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC
InchiInChI=1S/C29H30O11/c1-5-38-28(15-6-7-18(32)22(8-15)35-2)26(14-30)40-29-24(36-3)9-16(10-25(29)37-4)21-13-20(34)27-19(33)11-17(31)12-23(27)39-21/h6-13,26,28,30-33H,5,14H2,1-4H3/t26-,28-/m1/s1
Inchi KeyDIWWAPBABNONJI-IXCJQBJRSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score1.28
Records Key['3, Quiquelignan C']
Records Name[tricin 4'-O-[threo-beta-(7''-O-ethylguaiacyl)-glycerol] ether"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure