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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_31174
http://purl.obolibrary.org/obo/CHEBI_31174
|
|---|---|
| Preferred Name | adapalene |
| Definitions |
A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether.
|
| Synonyms |
6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid
adapaleno
Adaferin
Differine
adapalene
adapalenum
6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. |
|---|---|
| label |
adapalene
|
| prefLabel |
adapalene
|
| database_cross_reference |
PMID:12833014
PMID:26483036
PMID:25016424
Drug_Central:87
PMID:11594670
DrugBank:DB00210
KEGG:D01112
PMID:26398439
Patent:US4717720
Wikipedia:Adapalene
Patent:EP199636
LINCS:LSM-37048
CAS:106685-40-9
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|
| notation |
CHEBI:31174
|
| in_subset | |
| inchi |
InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
|
| has_related_synonym |
6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid
adapaleno
Adaferin
Differine
adapalene
adapalenum
See more
See less
|
| id |
CHEBI:31174
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C28H28O3
|
| subClassOf | |
| inchikey |
LZCDAPDGXCYOEH-UHFFFAOYSA-N
|
| mass |
412.521
|
| monoisotopicmass |
412.20384
|
| has functional parent | |
| type | |
| smiles |
C1C2(CC3CC(CC1C3)C2)C4=C(C=CC(=C4)C5=CC=C6C(=C5)C=CC(=C6)C(=O)O)OC
|
| has role | |
| has_exact_synonym |
6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
|
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