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CHEBI:77145 - ginsenoside F2

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:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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