sennoside B (CHEBI:34975)

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CHEBI:34975 - sennoside B

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ChEBI ID	CHEBI:34975
ChEBI Name	sennoside B
Stars
Definition	A member of the class of sennosides that is (9R,9'S)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by β-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'.
Last Modified	7 January 2015
Downloads	Molfile

Formula	C42H38O20
Net Charge	0
Average Mass	862.746
Monoisotopic Mass	862.19564
SMILES	[H][C@]1([C@]2([H])c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc32)c2cc(C(=O)O)cc(O)c2C(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc21
InChI	InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
InChIKey	IPQVTOJGNYVQEO-AIFLABODSA-N

Species of Metabolite	Component	Source	Comments
Rheum rhabarbarum (ncbitaxon:333310)	-	Article (Chem. Pharm. Bull., 1974, v22(4), 823-831.)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	cathartic Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:	laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.

ChEBI Ontology

Outgoing Relation(s)
	sennoside B (CHEBI:34975) is a oxo dicarboxylic acid (CHEBI:36145)
	sennoside B (CHEBI:34975) is a sennosides (CHEBI:84154)
Incoming Relation(s)
	sennoside (CHEBI:34974) has part sennoside B (CHEBI:34975)

IUPAC Name
(9R,9'S)-5,5'-bis(β-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid

Synonym	Source
(−)-(9R,9'S)-5,5'-bis(β-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid	ChEBI

Manual Xrefs	Databases
C13526	KEGG COMPOUND
HMDB0002783	HMDB
LMPK13040017	LIPID MAPS

Registry Numbers	Sources
Reaxys:79604	Reaxys
CAS:128-57-4	KEGG COMPOUND
CAS:128-57-4	ChemIDplus

Citations