Bioactive Compound Details

BioIDbio650
NameNone
ChEMBL IDCHEMBL1223737
Molecular FormulaC30H49BrO10
Molecular Weight649.62
Molecular Weight (Monoisotopic)648.2509
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms18Z-Lyngbyaloside C
SmilesCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H](C)[C@H](O)C[C@@](C)(CC/C=C/C=C\Br)OC(=O)C[C@](O)(C2)O3)[C@@H]1OC
InchiInChI=1S/C30H49BrO10/c1-19-11-12-21-15-22(39-28-27(37-6)26(36-5)25(35-4)20(2)38-28)16-30(34,40-21)18-24(33)41-29(3,17-23(19)32)13-9-7-8-10-14-31/h7-8,10,14,19-23,25-28,32,34H,9,11-13,15-18H2,1-6H3/b8-7+,14-10-/t19-,20+,21+,22-,23-,25+,26-,27-,28+,29-,30+/m1/s1
Inchi KeyCKTXZFBKOQGTIC-NVXQDTFASA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.69
Records Key['3']
Records Name['18Z-lyngbyaloside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure