Bioactive Compound Details

BioIDbio51
NameARBORTRISTOSIDE C
ChEMBL IDCHEMBL505478
Molecular FormulaC26H32O13
Molecular Weight552.53
Molecular Weight (Monoisotopic)552.1843
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsArbortristoside C
SmilesCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H]12
InchiInChI=1S/C26H32O13/c1-11-17-18(20(31)23(11)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)19(30)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15-,17-,18-,19-,20+,21+,22-,23-,25+,26+/m1/s1
Inchi KeyOJZQWQZTFYKVNT-KBLKYLEWSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities31.0
Np Likeness Score2.13
Records Key['3', 'c']
Records Name['arbortristoside C', 'arbortristoside c']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure