Bioactive Compound Details

BioIDbio80
NameSURANGIN C
ChEMBL IDCHEMBL2064609
Molecular FormulaC27H36O6
Molecular Weight456.58
Molecular Weight (Monoisotopic)456.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSurangin C
SmilesCCC(C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc12
InchiInChI=1S/C27H36O6/c1-7-17(6)24(30)23-26(32)18(13-12-16(5)11-9-10-15(3)4)25(31)22-19(20(28)8-2)14-21(29)33-27(22)23/h10,12,14,17,20,28,31-32H,7-9,11,13H2,1-6H3/b16-12+/t17?,20-/m0/s1
Inchi KeyPVNISOOZUQFLJH-VFXSKCLXSA-N
Molecular SpeciesACID
Targets9.0
Bioactivities18.0
Np Likeness Score2.21
Records Key['4', '4']
Records Name['6-((E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-4-((S)-1-hydroxypropyl)-8-(2-methylbutanoyl)-2H-chromen-2-one', 'Surangin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure