Bioactive Compound Details

BioIDbio1749
NameBICOLOSIN C
ChEMBL IDCHEMBL1835717
Molecular FormulaC26H30O5
Molecular Weight422.52
Molecular Weight (Monoisotopic)422.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBicolosin C
SmilesCOc1cc(O)c(C/C=C(\C)CCC=C(C)C)c2c1[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2
InchiInChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-23(29-4)24-25(19)30-14-20-18-11-9-17(27)12-22(18)31-26(20)24/h6,8-9,11-13,20,26-28H,5,7,10,14H2,1-4H3/b16-8+/t20-,26+/m0/s1
Inchi KeyKQOZBCGTGONGDN-UJVMDJEKSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.54
Records Key['3, Bicolosin C']
Records Name['(6aR,11aR)-3,9-dihydroxy-4-geranyl-1-methoxypterocarpan']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure