Bioactive Compound Details

BioIDbio1438
NameLEMNABOURSIDE C
ChEMBL IDCHEMBL457366
Molecular FormulaC28H44O7
Molecular Weight492.65
Molecular Weight (Monoisotopic)492.3087
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLemnabourside C
SmilesCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]([C@H](C)CCC[C@H](C)[C@@H]3CC=C(C)[C@H]4CCC(C)=C[C@@H]34)OC[C@H]1O2
InchiInChI=1S/C28H44O7/c1-15-9-11-20-17(3)10-12-21(22(20)13-15)16(2)7-6-8-18(4)27-32-14-23-26(33-19(5)29)24(30)25(31)28(34-23)35-27/h10,13,16,18,20-28,30-31H,6-9,11-12,14H2,1-5H3/t16-,18+,20+,21-,22+,23+,24+,25+,26+,27-,28-/m0/s1
Inchi KeyUNPUXBUKESCWCN-KTVYGYCHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.83
Records Key['2']
Records Name['lemnabourside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure