dianversicoside D (CHEBI:65758)

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CHEBI:65758 - dianversicoside D

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ChEBI ID	CHEBI:65758
ChEBI Name	dianversicoside D
Stars
Definition	A 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 Modified	20 January 2014
Downloads	Molfile

Formula	C60H94O29
Net Charge	0
Average Mass	1279.383
Monoisotopic Mass	1278.58808
SMILES	[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@]6([H])CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO[C@@H]3O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]3O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C60H94O29/c1-54(2)14-16-60(17-15-57(5)25(26(60)18-54)8-9-31-56(4)12-11-33(63)59(7,52(77)78)32(56)10-13-58(31,57)6)53(79)89-50-45(76)46(87-48-43(74)40(71)36(67)27(21-61)83-48)39(70)30(85-50)24-82-51-47(88-49-44(75)41(72)37(68)28(22-62)84-49)42(73)38(69)29(86-51)23-81-35(66)20-55(3,80)19-34(64)65/h8,26-33,36-51,61-63,67-76,80H,9-24H2,1-7H3,(H,64,65)(H,77,78)/t26-,27+,28+,29+,30+,31+,32+,33-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60-/m0/s1
InChIKey	NMZXWJLQTSMVIG-YDKKYBOASA-N

Species of Metabolite	Component	Source	Comments
Dianthus versicolor (ncbitaxon:746817)	whole plant (BTO:0001461)	PubMed (19290648)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 D (CHEBI:65758) has functional parent 3-hydroxy-3-methylglutaric acid (CHEBI:16831)
	dianversicoside D (CHEBI:65758) has functional parent gypsogenic acid (CHEBI:71531)
	dianversicoside D (CHEBI:65758) has parent hydride oleanane (CHEBI:36481)
	dianversicoside D (CHEBI:65758) has role antineoplastic agent (CHEBI:35610)
	dianversicoside D (CHEBI:65758) has role plant metabolite (CHEBI:76924)
	dianversicoside D (CHEBI:65758) is a carboxylic ester (CHEBI:33308)
	dianversicoside D (CHEBI:65758) is a hydroxy carboxylic acid (CHEBI:24669)
	dianversicoside D (CHEBI:65758) is a pentacyclic triterpenoid (CHEBI:25872)
	dianversicoside D (CHEBI:65758) is a tetrasaccharide derivative (CHEBI:63567)
	dianversicoside D (CHEBI:65758) is a triterpenoid saponin (CHEBI:61778)

Synonym	Source
3β-hydroxyolean-12-en-23α,28β-dioic acid 28-O-[β-D-glucopyranosyl(1→3)]{[β-D-glucopyranosyl(1→2)][β-D-6-O-((3S)-3-hydroxy-3-methylglutaryl)glucopyranosyl(1→6)]}-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:19700155	Reaxys

Citations