Bioactive Compound Details

BioIDbio526
NameMACROCALYXIN C
ChEMBL IDCHEMBL463149
Molecular FormulaC20H28O5
Molecular Weight348.44
Molecular Weight (Monoisotopic)348.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMacrocalyxin C
SmilesC=C1C(=O)[C@@]23[C@H](O)C[C@H]4[C@@](C)(CCC[C@]4(C)C=O)[C@@H]2C[C@H](O)[C@@H]1[C@H]3O
InchiInChI=1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15+,17+,18+,19+,20-/m0/s1
Inchi KeySTHPHTFJMBGODJ-CQUQCLBPSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score3.61
Records Key['11', '32']
Records Name['Macrocalyxin C', 'macrocalyxin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure