CHEBI:81360 - spinosin

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ChEBI Name spinosin
ChEBI ID CHEBI:81360
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32O15
Net Charge 0
Average Mass 608.54470
Monoisotopic Mass 608.17412
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
SMILES COc1cc2oc(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)-c1ccc(O)cc1
Metabolite of Species Details
Ziziphus jujuba var. sp.nosa (NCBI:txid714518) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2''-O-glycosylswertisin ChEBI
6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one ChemIDplus
flavoayamenin ChEBI
Manual Xrefs Databases
C00006268 KNApSAcK
C17834 KEGG COMPOUND
LMPK12110988 LIPID MAPS
View more database links
Registry Numbers Types Sources
6837776 Reaxys Registry Number Reaxys
72063-39-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25449359 PubMed citation Europe PMC
25767684 PubMed citation Europe PMC
Last Modified
02 June 2015