spinosin (CHEBI:81360)

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CHEBI:81360 - spinosin

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ChEBI ID	CHEBI:81360
ChEBI Name	spinosin
Stars
Definition	A flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5 and 4', a methoxy group at position 7 and a 2-O-β-D-glucopyranosyl-β-D-glucopyranosyl residue at position 6 via a C-glycosidic linkage.
Last Modified	2 June 2015
Downloads	Molfile

Formula	C28H32O15
Net Charge	0
Average Mass	608.549
Monoisotopic Mass	608.17412
SMILES	COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1
InChIKey	VGGSULWDCMWZPO-ODEMIOGVSA-N

Species of Metabolite	Component	Source	Comments
Ziziphus jujuba var. spinosa (ncbitaxon:714518)	-	PubMed (25767684)

Roles Classification

Biological Role:	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:	anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.

ChEBI Ontology

Outgoing Relation(s)
	spinosin (CHEBI:81360) has functional parent flavone (CHEBI:42491)
	spinosin (CHEBI:81360) has role anxiolytic drug (CHEBI:35474)
	spinosin (CHEBI:81360) has role plant metabolite (CHEBI:76924)
	spinosin (CHEBI:81360) is a dihydroxyflavone (CHEBI:38686)
	spinosin (CHEBI:81360) is a flavone C-glycoside (CHEBI:83280)
	spinosin (CHEBI:81360) is a monomethoxyflavone (CHEBI:25401)

IUPAC Name
(1S)-1,5-anhydro-2-O-β-D-glucopyranosyl-1-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol

Synonyms	Source
2''-O-glycosylswertisin	ChEBI
flavoayamenin	ChEBI
6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one	ChemIDplus

Manual Xrefs	Databases
C17834	KEGG COMPOUND
LMPK12110988	LIPID MAPS
C00006268	KNApSAcK

Registry Numbers	Sources
Reaxys:6837776	Reaxys
CAS:72063-39-9	KEGG COMPOUND
CAS:72063-39-9	ChemIDplus

Citations