Bioactive Compound Details

BioIDbio758
NameAJUGASTERONE C
ChEMBL IDCHEMBL477336
Molecular FormulaC27H44O7
Molecular Weight480.64
Molecular Weight (Monoisotopic)480.3087
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAjugasterone C
SmilesCC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
InchiInChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22-,23+,24-,25+,26+,27+/m0/s1
Inchi KeyLQGNCUXDDPRDJH-GPZICYBTSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score3.46
Records Key['2', '9']
Records Name['Ajugasterone C', 'Ajugasterone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure