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:6017 - isogentisin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
isogentisin
ChEBI ID
CHEBI:6017
Definition
A member of the class of xanthones that is 9
H
-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C14H10O5
Net Charge
0
Average Mass
258.22620
Monoisotopic Mass
258.05282
InChI
InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
InChIKey
FVIYCYAHKMJVJK-UHFFFAOYSA-N
SMILES
COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Metabolite of Species
Details
Gentiana lutea
(NCBI:txid38851)
See:
PubMed
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.
EC 1.4.3.4 (monoamine oxidase) inhibitor
An EC 1.4.3.* (oxidoreductase acting on donor CH-NH
2
group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isogentisin (
CHEBI:6017
)
has role
EC 1.4.3.4 (monoamine oxidase) inhibitor (
CHEBI:38623
)
isogentisin (
CHEBI:6017
)
has role
plant metabolite (
CHEBI:76924
)
isogentisin (
CHEBI:6017
)
is a
aromatic ether (
CHEBI:35618
)
isogentisin (
CHEBI:6017
)
is a
polyphenol (
CHEBI:26195
)
isogentisin (
CHEBI:6017
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
1,3-dihydroxy-7-methoxy-9
H
-xanthen-9-one
Synonyms
Sources
1,3-Dihydroxy--7-methoxyxanthone
KEGG COMPOUND
Isogentisine
ChemIDplus
Manual Xrefs
Databases
C00002957
KNApSAcK
C10070
KEGG COMPOUND
HMDB0030871
HMDB
View more database links
Registry Numbers
Types
Sources
258402
Reaxys Registry Number
Reaxys
491-64-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18064621
PubMed citation
Europe PMC
23453831
PubMed citation
Europe PMC
6338357
PubMed citation
Europe PMC
718732
PubMed citation
Europe PMC
7403306
PubMed citation
Europe PMC
Last Modified
03 October 2014