CHEBI:16151 - 3,4-dihydrocoumarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4-dihydrocoumarin
ChEBI ID CHEBI:16151
Definition A chromanone that is the 3,4-dihydro derivative of coumarin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4560, CHEBI:14147, CHEBI:23737
Supplier Information
Download Molfile XML SDF
Formula C9H8O2
Net Charge 0
Average Mass 148.15860
Monoisotopic Mass 148.052
InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey VMUXSMXIQBNMGZ-UHFFFAOYSA-N
SMILES O=C1CCc2ccccc2O1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,4-dihydrocoumarin (CHEBI:16151) has functional parent coumarin (CHEBI:28794)
3,4-dihydrocoumarin (CHEBI:16151) has role plant metabolite (CHEBI:76924)
3,4-dihydrocoumarin (CHEBI:16151) is a chromanone (CHEBI:38763)
IUPAC Name
3,4-dihydro-2H-1-benzopyran-2-one
Synonyms Sources
1,2-benzodihydropyrone ChemIDplus
2-chromanone HMDB
2-chromanone ChemIDplus
2-hydroxydihydrocinnamic acid lactone ChemIDplus
3,4-dihydro-2H-chromen-2-one ChEBI
3,4-dihydrocoumarin ChEBI
3,4-Dihydrocoumarin KEGG COMPOUND
3,4-dihydrocoumarin UniProt
benzodihydropyrone HMDB
chroman-2-one IUPAC
Dihydrocoumarin KEGG COMPOUND
hydrocoumarin ChemIDplus
melilotic acid lactone ChemIDplus
melilotic lactone ChemIDplus
melilotin ChemIDplus
melilotol ChemIDplus
o-hydroxydihydrocinnamic acid lactone ChemIDplus
o-hydroxyhydrocinnamic acid δ-lactone NIST Chemistry WebBook
oxochroman ChemIDplus
Database Links Databases
C02274 KEGG COMPOUND
c0397 UM-BBD
DIHYDROCOUMARIN MetaCyc
HMDB0036626 HMDB
View more database links
Registry Numbers Types Sources
119-84-6 CAS Registry Number ChemIDplus
119-84-6 CAS Registry Number NIST Chemistry WebBook
4584 Reaxys Registry Number Reaxys
4584 Beilstein Registry Number Beilstein
874678 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
12616288 PubMed citation Europe PMC
16362078 PubMed citation Europe PMC
16769080 PubMed citation Europe PMC
Last Modified
13 November 2017