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:64412 - 10-deoxygerfelin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
10-deoxygerfelin
ChEBI ID
CHEBI:64412
Definition
A member of the class of benzoic acids that is salicylic acid which is substituted at position 6 by a methyl group and at position 4 by a 3-hydroxy-5-methylphenoxy group.
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
Formula
C15H14O5
Net Charge
0
Average Mass
274.26870
Monoisotopic Mass
274.08412
InChI
InChI=1S/C15H14O5/c1-
8-
3-
10(16)
6-
11(4-
8)
20-
12-
5-
9(2)
14(15(18)
19)
13(17)
7-
12/h3-
7,16-
17H,1-
2H3,(H,18,19)
InChIKey
ZJEIMBOWRAUNAN-UHFFFAOYSA-N
SMILES
Cc1cc(O)cc(Oc2cc(C)c(C(O)=O)c(O)c2)c1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
10-deoxygerfelin (
CHEBI:64412
)
has role
metabolite (
CHEBI:25212
)
10-deoxygerfelin (
CHEBI:64412
)
is a
aromatic ether (
CHEBI:35618
)
10-deoxygerfelin (
CHEBI:64412
)
is a
benzoic acids (
CHEBI:22723
)
10-deoxygerfelin (
CHEBI:64412
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid
Synonyms
Sources
C
-10-deoxy derivative of gerfelin
ChEBI
C
-10-deoxy gerfelin
ChEBI
C
-10-deoxygerfelin
ChEBI
C
10-deoxy derivative of gerfelin
ChEBI
C
10-deoxy gerfelin
ChEBI
C
10-deoxygerfelin
ChEBI
Registry Number
Type
Source
2663280
Reaxys Registry Number
Reaxys
Citation
Type
Source
20174687
PubMed citation
Europe PMC
Last Modified
20 February 2013