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CHEBI:65760 - dianversicoside F

ChEBI IDCHEBI:65760
ChEBI Namedianversicoside F
Stars
DefinitionA pentacyclic triterpenoid saponin isolated from the aerial parts of Dianthus versicolor. It has been shown to exhibit cytotoxic activity against a panel of cancer cell lines.
Last Modified20 January 2014
DownloadsMolfile
FormulaC54H86O26
Net Charge0
Average Mass1151.256
Monoisotopic Mass1150.54073
SMILES[H][C@@]1(O[C@H]2[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@]7([H])CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C54H86O26/c1-49(2)13-14-54(48(72)80-45-41(70)37(66)34(63)26(77-45)20-73-46-42(38(67)33(62)25(19-57)76-46)78-43-39(68)35(64)31(60)23(17-55)74-43)22(15-49)21-7-8-27-50(3)11-10-29(58)53(6,28(50)9-12-51(27,4)52(21,5)16-30(54)59)47(71)79-44-40(69)36(65)32(61)24(18-56)75-44/h7,22-46,55-70H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,50+,51+,52+,53-,54+/m0/s1
InChIKeyVBBKYJHEVPBGBQ-MSXWTUGRSA-N
Species of MetaboliteComponentSourceComments
Dianthus versicolor (ncbitaxon:746817) whole plant (BTO:0001461) PubMed (19290648)
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.
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)
dianversicoside F (CHEBI:65760) has functional parent 16α-hydroxygypsogenic acid (CHEBI:71529)
dianversicoside F (CHEBI:65760) has parent hydride oleanane (CHEBI:36481)
dianversicoside F (CHEBI:65760) has role antineoplastic agent (CHEBI:35610)
dianversicoside F (CHEBI:65760) has role plant metabolite (CHEBI:76924)
dianversicoside F (CHEBI:65760) is a carboxylic ester (CHEBI:33308)
dianversicoside F (CHEBI:65760) is a pentacyclic triterpenoid (CHEBI:25872)
dianversicoside F (CHEBI:65760) is a triterpenoid saponin (CHEBI:61778)
Synonym  Source
23-O-β-D-glucopyranosyl-3β,16α-dihydroxyolean-12-en-23α,28β-dioic acid 28-O-{[β-D-glucopyranosyl(1→2)][β-D-glucopyranosyl(1→6)]}-β-D-glucopyranosideChEBI
Registry NumbersSources
Reaxys:19700154Reaxys
Citations