CHEBI:167091 - 2-heptylfuran

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-heptylfuran
ChEBI ID CHEBI:167091
Definition A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a heptyl group. It is an effective inhibitor of chemical induced carcinogenesis.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18O
Net Charge 0
Average Mass 166.264
Monoisotopic Mass 166.13577
InChI InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
InChIKey BHTUFJXTYNLISA-UHFFFAOYSA-N
SMILES CCCCCCCC1=CC=CO1
Metabolite of Species Details
Hibiscus sabdariffa (NCBI:txid183260) Found in seed (BTO:0001226). See: PubMed
Hypoxylon investiens (NCBI:txid326663) of strain BCRC 10F0115 See: PubMed
Tuber magnatum (NCBI:txid42249) See: DOI
Tuber magnatum (NCBI:txid42249) Found in fruit body (BTO:0000487). of strain Tuber magnatum Pico See: MetaboLights Study
Eryngium campestre (NCBI:txid82086) Found in root (BTO:0001188). See: PubMed
Bos taurus (NCBI:txid9913) See: PubMed
Roles Classification
Chemical Role(s): Maillard reaction product
Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products).
Biological Role(s): plant growth regulator
A chemical, natural or artificial, that can affect the rate of growth of a plant.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-heptylfuran (CHEBI:167091) has role antineoplastic agent (CHEBI:35610)
2-heptylfuran (CHEBI:167091) has role flavouring agent (CHEBI:35617)
2-heptylfuran (CHEBI:167091) has role fungal metabolite (CHEBI:76946)
2-heptylfuran (CHEBI:167091) has role Maillard reaction product (CHEBI:77523)
2-heptylfuran (CHEBI:167091) has role mammalian metabolite (CHEBI:75768)
2-heptylfuran (CHEBI:167091) has role plant growth regulator (CHEBI:26155)
2-heptylfuran (CHEBI:167091) has role plant metabolite (CHEBI:76924)
2-heptylfuran (CHEBI:167091) is a furans (CHEBI:24129)
IUPAC Name
2-heptylfuran
Synonyms Sources
2-heptyl-furan ChEBI
2-n-heptylfuran NIST Chemistry WebBook
FEMA 3401 HMDB
Manual Xrefs Databases
18466 ChemSpider
FDB015044 FooDB
HMDB0036190 HMDB
View more database links
Registry Numbers Types Sources
3777-71-7 CAS Registry Number ChemIDplus
3777-71-7 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
1574441 PubMed citation Europe PMC
24934680 PubMed citation Europe PMC
25045602 PubMed citation Europe PMC
28304114 PubMed citation Europe PMC
29373560 PubMed citation Europe PMC
305830 Chinese Abstracts citation Europe PMC
IND20507210 Agricola citation Europe PMC
Last Modified
18 June 2021