Bioactive Compound Details

BioIDbio662
NameEPICOCCIN C
ChEMBL IDCHEMBL253555
Molecular FormulaC18H18N2O6S4
Molecular Weight486.62
Molecular Weight (Monoisotopic)486.0048
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEpicoccin C
SmilesO=C1C[C@@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@H](SS1)[C@H](O)[C@H]3N2C4=O
InchiInChI=1S/C18H18N2O6S4/c21-7-1-9-13(23)11-5(7)3-17(29-27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)30-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9-,10-,11-,12-,13-,14-,17+,18+/m0/s1
Inchi KeyJPUPMIVLDVVGIE-PLFLVPLZSA-N
Molecular SpeciesNEUTRAL
Targets17.0
Bioactivities19.0
Np Likeness Score1.76
Records Key['16', '3', '8']
Records Name['epicoccin C', 'epicoccin C', 'Epicoccin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure