Bioactive Compound Details

BioIDbio1633
NameUSIMINE C
ChEMBL IDCHEMBL457491
Molecular FormulaC23H23NO10
Molecular Weight473.43
Molecular Weight (Monoisotopic)473.1322
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsUsimine C
SmilesCC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(O)=C(/C(C)=N\[C@@H](CCC(=O)O)C(=O)O)C(=O)[C@@]12C
InchiInChI=1S/C23H23NO10/c1-8-18(29)16(10(3)25)20-17(19(8)30)23(4)13(34-20)7-12(26)15(21(23)31)9(2)24-11(22(32)33)5-6-14(27)28/h7,11,26,29-30H,5-6H2,1-4H3,(H,27,28)(H,32,33)/b24-9-/t11-,23-/m0/s1
Inchi KeyWFFMTGCIAAQCKO-VSZRXASPSA-N
Molecular SpeciesZWITTERION
Targets1.0
Bioactivities1.0
Np Likeness Score1.82
Records Key['3']
Records Name['Usimine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure