Bioactive Compound Details

BioIDbio652
NameHEDYOTOL C
ChEMBL IDCHEMBL1761717
Molecular FormulaC31H36O11
Molecular Weight584.62
Molecular Weight (Monoisotopic)584.2258
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHedyotol C
SmilesCOc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@H](CO)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
InchiInChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3/t19-,20-,27+,28-,29+,30+/m0/s1
Inchi KeyDVTIDVKFFJRCAB-PEVOTWPUSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.21
Records Key['17']
Records Name['hedyotol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure