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CHEBI:3918 - crocetin

Default Structure
ChEBI IDCHEBI:3918
ChEBI Namecrocetin
Stars
DefinitionA 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.
Last Modified15 February 2017
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O
InChIInChI=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+
InChIKeyPANKHBYNKQNAHN-MQQNZMFNSA-N
Wikipedia
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
Applications:
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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
crocetin (CHEBI:3918) has role anticoronaviral agent (CHEBI:149553)
crocetin (CHEBI:3918) has role antineoplastic agent (CHEBI:35610)
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 diterpenoid (CHEBI:23849)
crocetin (CHEBI:3918) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
crocetin (CHEBI:3918) is conjugate acid of crocetin(2−) (CHEBI:62767)
Incoming Relation(s)
bis(β-D-glucosyl) crocetin (CHEBI:62768) has functional parent crocetin (CHEBI:3918)
β-D-gentiobiosyl crocetin (CHEBI:62769) has functional parent crocetin (CHEBI:3918)
β-D-glucosyl crocetin (CHEBI:62765) 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
INNs  Source
transcrocetinWHO MedNet
transcrocetinaWHO MedNet
transcrocetineWHO MedNet
Synonyms  Source
8,8'-diapo-8,8'-carotenedioic acidIUBMB
8,8-diapocarotenedioic acidChEMBL
8,8'-diapocarotenedioic acidChemIDplus
8,8'-diapo-ψ,ψ-carotenedioic acidChemIDplus
Ci 75100ChEMBL
CI-75100ChEMBL
Brand Name  Source
Transcrocetin component of leaf-4l6715 ateChEMBL
Manual XrefsDatabases
C00003768KNApSAcK
C08588KEGG COMPOUND
CPD-8662MetaCyc
CrocetinWikipedia
LMPR0104010020LIPID MAPS
Registry NumbersSources
Reaxys:1715455Reaxys
CAS:27876-94-4ChemIDplus
CAS:27876-94-4KEGG COMPOUND
Citations