Bioactive Compound Details

BioIDbio397
NameMAOESIN C
ChEMBL IDCHEMBL1641885
Molecular FormulaC24H32O9
Molecular Weight464.51
Molecular Weight (Monoisotopic)464.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMaoesin C
SmilesC=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2
InchiInChI=1S/C24H32O9/c1-11-14-7-15(27)17-22-6-5-16(33-13(3)26)21(4,9-31-12(2)25)18(22)20(29)24(30,32-10-22)23(17,8-14)19(11)28/h14-18,20,27,29-30H,1,5-10H2,2-4H3/t14-,15-,16+,17+,18-,20+,21-,22-,23+,24+/m1/s1
Inchi KeyAQPXLVZGLFFKCW-KCRXFRRKSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.69
Records Key['11, Maoesin C']
Records Name['3beta,19-diacetoxy-6beta,7beta,11alpha-trihydroxy-7alpha,20-epoxy-ent-kaur-16-en-15-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure