CHEBI:3918 - crocetin

Main ChEBI Ontology Automatic Xrefs
ChEBI Name crocetin
ChEBI ID CHEBI:3918
Definition A 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H24O4
Net Charge 0
Average Mass 328.40220
InChI InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChIKey PANKHBYNKQNAHN-MQQNZMFNSA-N
SMILES CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(O)=O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
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ChEBI Ontology
Outgoing crocetin (CHEBI:3918) has role antioxidant (CHEBI:22586)
crocetin (CHEBI:3918) has role metabolite (CHEBI:25212)
crocetin (CHEBI:3918) has role nutraceutical (CHEBI:50733)
crocetin (CHEBI:3918) is a carotenoic acid (CHEBI:35311)
crocetin (CHEBI:3918) is a dicarboxylic acid (CHEBI:35692)
crocetin (CHEBI:3918) is a diterpenoid (CHEBI:23849)
crocetin (CHEBI:3918) is conjugate acid of crocetin(2−) (CHEBI:62767)
Incoming β-D-gentiobiosyl crocetin (CHEBI:62769) has functional parent crocetin (CHEBI:3918)
β-D-glucosyl crocetin (CHEBI:62765) has functional parent crocetin (CHEBI:3918)
bis(β-D-glucosyl) crocetin (CHEBI:62768) has functional parent crocetin (CHEBI:3918)
crocetin(2−) (CHEBI:62767) is conjugate base of crocetin (CHEBI:3918)
IUPAC Names
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
8,8'-diapocarotene-8,8'-dioic acid
Synonyms Sources
8,8'-diapo-8,8'-carotenedioic acid CBN
8,8'-diapo-ψ,ψ-carotenedioic acid ChemIDplus
8,8'-diapocarotenedioic acid ChemIDplus
Crocetin KEGG COMPOUND
trans-crocetin ChEBI
Database Links Databases
C00003768 KNApSAcK
C08588 KEGG COMPOUND
CPD-8662 MetaCyc
Crocetin Wikipedia
LMPR0104010020 LIPID MAPS
View more database links
Registry Numbers Types Sources
1715455 Reaxys Registry Number Reaxys
1715455 Beilstein Registry Number Beilstein
27876-94-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12065218 PubMed citation CiteXplore
15605174 PubMed citation CiteXplore
16272698 PubMed citation CiteXplore
19358927 PubMed citation CiteXplore
20041429 PubMed citation CiteXplore
20803418 PubMed citation CiteXplore
20854811 PubMed citation CiteXplore
21031628 PubMed citation CiteXplore
21112749 PubMed citation CiteXplore
21224437 PubMed citation CiteXplore
21466430 PubMed citation CiteXplore
21741458 PubMed citation CiteXplore
Last Modified
28 July 2014
General Comment
2011-08-19 See also Côté, F., Cormier, F., Dufresne, C. and Willemot, C. Properties of aglucosyltransferase involved in crocin synthesis. Plant Sci. 153 (2000)55—63.