sciscllascilloside E-1 (CHEBI:66439)

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CHEBI:66439 - sciscllascilloside E-1

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ChEBI ID	CHEBI:66439
ChEBI Name	sciscllascilloside E-1
Stars
Definition	A triterpenoid saponin isolated from Scilla scilloides and has been shown to exhibit anti-tumour activity.
Last Modified	20 January 2014
Downloads	Molfile

Formula	C58H94O27
Net Charge	0
Average Mass	1223.363
Monoisotopic Mass	1222.59825
SMILES	[H][C@@]1(O[C@H]2[C@]([H])(O[C@H]3[C@H](OC[C@H]4O[C@@]([H])(O[C@H]5CC[C@]6(C)C7=C(CC[C@@]6([H])[C@@]5(C)CO)[C@]5(C)CC[C@@]6(O[C@H](C(=O)CC)C[C@H]6C)[C@@]5(C)CC7)[C@H](O)[C@@H](O)[C@@H]4O)OC[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C58H94O27/c1-8-27(62)29-17-23(2)58(85-29)16-15-56(6)26-9-10-33-54(4,25(26)11-14-57(56,58)7)13-12-34(55(33,5)22-61)81-50-44(73)42(71)38(67)32(80-50)21-76-52-47(36(65)28(63)20-75-52)83-53-48(84-49-43(72)40(69)35(64)24(3)77-49)46(39(68)31(19-60)79-53)82-51-45(74)41(70)37(66)30(18-59)78-51/h23-24,28-53,59-61,63-74H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+/m1/s1
InChIKey	LLBZPESJRQGYMB-VFEURASPSA-N

Species of Metabolite	Component	Source	Comments
Scilla scilloides (ncbitaxon:49652)	bulb (BTO:0000159)	PubMed (12237544)	Fresh bulbs

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)
	sciscllascilloside E-1 (CHEBI:66439) has role antineoplastic agent (CHEBI:35610)
	sciscllascilloside E-1 (CHEBI:66439) has role plant metabolite (CHEBI:76924)
	sciscllascilloside E-1 (CHEBI:66439) is a ketone (CHEBI:17087)
	sciscllascilloside E-1 (CHEBI:66439) is a oxaspiro compound (CHEBI:37948)
	sciscllascilloside E-1 (CHEBI:66439) is a pentacyclic triterpenoid (CHEBI:25872)
	sciscllascilloside E-1 (CHEBI:66439) is a pentasaccharide derivative (CHEBI:63566)
	sciscllascilloside E-1 (CHEBI:66439) is a primary alcohol (CHEBI:15734)
	sciscllascilloside E-1 (CHEBI:66439) is a triterpenoid saponin (CHEBI:61778)

Synonym	Source
15-deoxoeucosterol-3-O-α-L-rhamnopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→6)-β-D-glucopyranoside	ChEBI

Registry Numbers	Sources
Reaxys:6048738	Reaxys

Citations