Bioactive Compound Details

BioIDbio254
NameKAYEASSAMIN C
ChEMBL IDCHEMBL489277
Molecular FormulaC27H36O6
Molecular Weight456.58
Molecular Weight (Monoisotopic)456.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsKayeassamin C
SmilesCCC(C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c2oc(=O)cc([C@@H](O)CC)c2c1O
InchiInChI=1S/C27H36O6/c1-7-17(6)24(30)23-25(31)18(13-12-16(5)11-9-10-15(3)4)27-22(26(23)32)19(20(28)8-2)14-21(29)33-27/h10,12,14,17,20,28,31-32H,7-9,11,13H2,1-6H3/b16-12+/t17?,20-/m0/s1
Inchi KeyAGOSDMDNYICYIT-VFXSKCLXSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.2
Records Key['1']
Records Name['kayeassamin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure