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CHEBI:77145 - ginsenoside F2

Default Structure
ChEBI IDCHEBI:77145
ChEBI Nameginsenoside F2
Stars
DefinitionA ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3β, 12β and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding β-D-glucopyranosides, and in which a double bond has been introduced at the 24-25 position.
Last Modified21 January 2019
SubmitterKAX
DownloadsMolfile
FormulaC42H72O13
Net Charge0
Average Mass785.025
Monoisotopic Mass784.49729
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
InChIKeySWIROVJVGRGSPO-JBVRGBGGSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ginsenoside F2 (CHEBI:77145) has parent hydride dammarane (CHEBI:36488)
ginsenoside F2 (CHEBI:77145) has role antineoplastic agent (CHEBI:35610)
ginsenoside F2 (CHEBI:77145) has role apoptosis inducer (CHEBI:68495)
ginsenoside F2 (CHEBI:77145) has role plant metabolite (CHEBI:76924)
ginsenoside F2 (CHEBI:77145) is a 12β-hydroxy steroid (CHEBI:36847)
ginsenoside F2 (CHEBI:77145) is a ginsenoside (CHEBI:74978)
ginsenoside F2 (CHEBI:77145) is a tetracyclic triterpenoid (CHEBI:26893)
ginsenoside F2 (CHEBI:77145) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl β-D-glucopyranoside
Synonym  Source
3β,20-bis(β-D-glucopyranosyloxy)dammar-24-en-12β-olSUBMITTER
UniProt Name  Source
(20S)-ginsenoside F2UniProt
Manual XrefsDatabases
CPD-12100MetaCyc
HMDB0039545HMDB
KR20090061107Patent
Registry NumbersSources
Reaxys:5720814Reaxys
CAS:62025-49-4HMDB
Citations