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CHEBI:139030 - hydroxysafflor yellow A

ChEBI IDCHEBI:139030
ChEBI Namehydroxysafflor yellow A
Stars
DefinitionA C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by β-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius).
Last Modified15 November 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC27H32O16
Net Charge0
Average Mass612.537
Monoisotopic Mass612.16903
SMILESO=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
InChIInChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3+/t12-,13-,16-,17-,19+,20+,21-,22-,23+,26-,27?/m1/s1
InChIKeyLIPJRCGLQNIXGO-ONZBGLOFSA-N
Species of MetaboliteComponentSourceComments
Carthamus tinctorius (ncbitaxon:4222) flower (BTO:0000469) PubMed (27731393 )
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of sucrose α-glucosidase (EC 3.2.1.48).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
hydroxysafflor yellow A (CHEBI:139030) has role anti-inflammatory agent (CHEBI:67079)
hydroxysafflor yellow A (CHEBI:139030) has role antineoplastic agent (CHEBI:35610)
hydroxysafflor yellow A (CHEBI:139030) has role antioxidant (CHEBI:22586)
hydroxysafflor yellow A (CHEBI:139030) has role EC 3.2.1.48 (sucrose α-glucosidase) inhibitor (CHEBI:67231)
hydroxysafflor yellow A (CHEBI:139030) has role neuroprotective agent (CHEBI:63726)
hydroxysafflor yellow A (CHEBI:139030) has role plant metabolite (CHEBI:76924)
hydroxysafflor yellow A (CHEBI:139030) has role platelet aggregation inhibitor (CHEBI:50427)
hydroxysafflor yellow A (CHEBI:139030) has role radical scavenger (CHEBI:48578)
hydroxysafflor yellow A (CHEBI:139030) is a C-glycosyl compound (CHEBI:20857)
hydroxysafflor yellow A (CHEBI:139030) is a enol (CHEBI:33823)
hydroxysafflor yellow A (CHEBI:139030) is a enone (CHEBI:51689)
hydroxysafflor yellow A (CHEBI:139030) is a phenols (CHEBI:33853)
Synonyms  Source
2,4-di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-oneChEBI
2,4-di-β-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-oneChEBI
safflomin AChemIDplus
HSYAChEBI
Manual XrefsDatabases
HMDB0040677HMDB
FDB020474FooDB
Registry NumbersSources
Reaxys:8669627Reaxys
CAS:78281-02-4ChemIDplus
Citations