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:78590 - 7-
O
-geranyl-2-
O
,3-dimethylflaviolin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
7-
O
-geranyl-2-
O
,3-dimethylflaviolin
ChEBI ID
CHEBI:78590
ChEBI ASCII Name
7-O-geranyl-2-O,3-dimethylflaviolin
Definition
A hydroxy-1,4-naphthoquinone that is 3-methylflaviolin in which the hydroxyl hydrogens at positions 2 and 7 are replaced by methyl and geranyl groups respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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
C22H26O5
Net Charge
0
Average Mass
370.43880
Monoisotopic Mass
370.17802
InChI
InChI=1S/C22H26O5/c1-
13(2)
7-
6-
8-
14(3)
9-
10-
27-
16-
11-
17-
19(18(23)
12-
16)
20(24)
15(4)
22(26-
5)
21(17)
25/h7,9,11-
12,23H,6,8,10H2,1-
5H3/b14-
9+
InChIKey
JSICQLYEVMVRNL-NTEUORMPSA-N
SMILES
COC1=C(C)C(=O)c2c(O)cc(OC\C=C(/C)CCC=C(C)C)cc2C1=O
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
has functional parent
flaviolin (
CHEBI:42646
)
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
has role
bacterial metabolite (
CHEBI:76969
)
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
is a
enol ether (
CHEBI:47985
)
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
is a
hydroxy-1,4-naphthoquinone (
CHEBI:132157
)
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
is a
olefinic compound (
CHEBI:78840
)
7-
O
-geranyl-2-
O
,3-dimethylflaviolin (
CHEBI:78590
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
7-{[(2
E
)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-hydroxy-2-methoxy-3-methyl-1,4-naphthoquinone
Synonyms
Sources
7-
O
-geranyl-2-
O
,3-dimethylflaviolin
UniProt
7-
{[(2
E
)-
3,7-
dimethylocta-
2,6-
dien-
1-
yl]oxy}-
5-
hydroxy-
2-
methoxy-
3-
methylnaphthalene-
1,4-
dione
SUBMITTER
Manual Xref
Database
CPD-16662
MetaCyc
View more database links
Registry Number
Type
Source
21763057
Reaxys Registry Number
Reaxys
Citation
Type
Source
20937800
PubMed citation
Europe PMC
Last Modified
09 June 2016