Bioactive Compound Details

BioIDbio1750
NameZARAGOZIC ACID C
ChEMBL IDCHEMBL505374
Molecular FormulaC40H50O14
Molecular Weight754.83
Molecular Weight (Monoisotopic)754.3201
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsZaragozic Acid C
SmilesCC(=O)O[C@H](CCC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)CC/C=C/[C@H](C)CCCc1ccccc1)[C@H]2O)[C@H](C)Cc1ccccc1
InchiInChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1
Inchi KeyKQMNJFMTGHRJHM-ZFSXNWTMSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities4.0
Np Likeness Score1.98
Records Key['3', '1']
Records Name['Zaragozic Acid C', 'zaragozic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure