CHEBI:16252 - 6-methoxymellein

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-methoxymellein
ChEBI ID CHEBI:16252
Definition An isochromane that is mellein bearing a methoxy substituent at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12223, CHEBI:20740
Supplier Information
Download Molfile XML SDF
Formula C11H12O4
Net Charge 0
Average Mass 208.21060
Monoisotopic Mass 208.07356
InChI InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3
InChIKey AIFNAMVERSBWPS-UHFFFAOYSA-N
SMILES COc1cc(O)c2C(=O)OC(C)Cc2c1
ChEBI Ontology
Outgoing 6-methoxymellein (CHEBI:16252) has functional parent mellein (CHEBI:38760)
6-methoxymellein (CHEBI:16252) is a isochromanes (CHEBI:38762)
Incoming (R)-6-methoxymellein (CHEBI:2212) is a 6-methoxymellein (CHEBI:16252)
IUPAC Name
8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
Synonyms Sources
2,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one ChemIDplus
3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin ChEBI
3-methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarin ChEBI
6-Methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin ChemIDplus
6-methoxymellein UniProt
6-Mhmd-isocoumarin ChemIDplus
8-hydroxy-6-methoxy-3-methylisochroman-1-one ChEBI
Registry Numbers Types Sources
169582 Reaxys Registry Number Reaxys
6803-02-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10552637 PubMed citation Europe PMC
12797757 PubMed citation Europe PMC
7730162 PubMed citation Europe PMC
9630860 PubMed citation Europe PMC
Last Modified
13 November 2017