Bioactive Compound Details

BioIDbio1203
NameGENTIRIGEOSIDE C
ChEMBL IDCHEMBL373539
Molecular FormulaC42H70O17
Molecular Weight847.01
Molecular Weight (Monoisotopic)846.4613
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsgentirigeoside C
SmilesCC1(C)O[C@](C(=O)O)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4CC[C@]23C)C[C@H](O)[C@@H]1O
InchiInChI=1S/C42H70O17/c1-37(2)33(52)21(45)15-42(59-37,36(53)54)20-9-13-40(5)19(20)7-8-25-38(3)12-11-26(58-35-32(51)30(49)28(47)23(17-44)57-35)39(4,24(38)10-14-41(25,40)6)18-55-34-31(50)29(48)27(46)22(16-43)56-34/h19-35,43-52H,7-18H2,1-6H3,(H,53,54)/t19-,20+,21+,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33+,34-,35+,38+,39-,40-,41-,42+/m1/s1
Inchi KeyAQYVSJSIOILIQJ-CUWSSRGUSA-N
Molecular SpeciesACID
Targets2.0
Bioactivities3.0
Np Likeness Score2.3
Records Key['4, gentirigeoside C']
Records Name['20S,25-epoxy-3beta,23beta,24beta,29-tetrahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranosyl-29-O-beta-D-glucopyranoside']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure