Bioactive Compound Details

BioIDbio1429
NameCLERODENDRIN C
ChEMBL IDCHEMBL2272664
Molecular FormulaC30H42O12
Molecular Weight594.65
Molecular Weight (Monoisotopic)594.2676
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesCC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1C[C@@H](O)[C@H](OC(=O)C(C)(C)OC(C)=O)[C@]21CO1
InchiInChI=1S/C30H42O12/c1-15-10-23(39-17(3)32)29(13-37-16(2)31)21(28(15,7)22-11-19-8-9-36-25(19)40-22)12-20(34)24(30(29)14-38-30)41-26(35)27(5,6)42-18(4)33/h8-9,15,19-25,34H,10-14H2,1-7H3/t15-,19-,20-,21-,22+,23+,24+,25+,28+,29+,30-/m1/s1
Inchi KeyROLHZNATRGMXKR-LUYCMFIRSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities40.0
Np Likeness Score3.02
Records Key['3']
Records Name['Clerodendrin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure