Bioactive Compound Details

BioIDbio70
NameSIPHONODICTYAL C
ChEMBL IDCHEMBL463316
Molecular FormulaC22H29NaO7S
Molecular Weight460.52
Molecular Weight (Monoisotopic)438.1712
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSiphonodictyal C
SmilesCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1Cc1cc(O)c(O)c(C=O)c1OS(=O)(=O)[O-].[Na+]
InchiInChI=1S/C22H30O7S.Na/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)19(25)15(12-23)20(14)29-30(26,27)28;/h6,11-12,16,18,24-25H,5,7-10H2,1-4H3,(H,26,27,28);/q;+1/p-1/t16-,18-,22+;/m0./s1
Inchi KeyOBZGWTUHUUZXCJ-FNKCKCLTSA-M
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.6
Records Key['3']
Records Name['Siphonodictyal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure