Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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-1
H
-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
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