Bioactive Compound Details

BioIDbio1636
NameNone
ChEMBL IDCHEMBL1765099
Molecular FormulaC22H32O6
Molecular Weight392.49
Molecular Weight (Monoisotopic)392.2199
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms12'-Acetylrabdokunmin C
SmilesC=C1C(=O)[C@@]23[C@H](O)C[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2C[C@H](OC(C)=O)[C@@H]1[C@H]3O
InchiInChI=1S/C22H32O6/c1-11-17-13(28-12(2)24)8-15-21(4)7-5-6-20(3,10-23)14(21)9-16(25)22(15,18(11)26)19(17)27/h13-17,19,23,25,27H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17+,19+,20+,21+,22-/m0/s1
Inchi KeySRMSWQHGIFNOLC-UNZHOANCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.42
Records Key['8']
Records Name[12'-acetylrabdokunmin C"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure