torososide B (CHEBI:66257)

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CHEBI:66257 - torososide B

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ChEBI ID	CHEBI:66257
ChEBI Name	torososide B
Stars
Definition	A monohydroxy-9,10-anthraquinone that is the tetrasaccharide derivative of physcion. Isolated from Cassia torosa, it exhibits inhibitory effect towards the release of leucotrienes.
Last Modified	14 June 2016
Downloads	Molfile

Formula	C40H52O25
Net Charge	0
Average Mass	932.831
Monoisotopic Mass	932.27977
SMILES	[H][C@]1(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4c3C(=O)c3c(O)cc(C)cc3C4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChI	InChI=1S/C40H52O25/c1-11-3-13-21(15(43)4-11)28(49)22-14(23(13)44)5-12(57-2)6-16(22)60-39-33(54)30(51)25(46)19(63-39)10-59-38-35(56)36(27(48)18(8-42)62-38)65-40-34(55)31(52)26(47)20(64-40)9-58-37-32(53)29(50)24(45)17(7-41)61-37/h3-6,17-20,24-27,29-43,45-48,50-56H,7-10H2,1-2H3/t17-,18-,19-,20-,24-,25-,26-,27-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+/m1/s1
InChIKey	PIFVMMPDYLWDPU-QFKVYBHTSA-N

Species of Metabolite	Component	Source	Comments
Cassia torosa (IPNI:485342-1)	seed (BTO:0001226)	PubMed (10434393)

Roles Classification

Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
Applications:	leukotriene antagonist A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level. anti-allergic agent A drug used to treat allergic reactions.

ChEBI Ontology

Outgoing Relation(s)
	torososide B (CHEBI:66257) has functional parent physcion (CHEBI:38167)
	torososide B (CHEBI:66257) has role anti-allergic agent (CHEBI:50857)
	torososide B (CHEBI:66257) has role leukotriene antagonist (CHEBI:49159)
	torososide B (CHEBI:66257) has role metabolite (CHEBI:25212)
	torososide B (CHEBI:66257) is a monohydroxyanthraquinone (CHEBI:37483)
	torososide B (CHEBI:66257) is a tetrasaccharide derivative (CHEBI:63567)

IUPAC Name
8-hydroxy-3-methoxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside

Synonym	Source
physcion-8-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside	ChEBI

Manual Xrefs	Databases
HMDB0034855	HMDB

Registry Numbers	Sources
Reaxys:8470805	Reaxys

Citations