Bioactive Compound Details

BioIDbio1352
NameJAVANICOLIDE C
ChEMBL IDCHEMBL443898
Molecular FormulaC26H36O11
Molecular Weight524.56
Molecular Weight (Monoisotopic)524.2258
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsJavanicolide C
SmilesCOC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C[C@@H](O)[C@@H](O)[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
InchiInChI=1S/C26H36O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,11-14,16-21,27,29-31H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
Inchi KeyHGWAIHIPTWRNHL-QFWHAJIVSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.53
Records Key['1']
Records Name['Javanicolide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure