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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide | |
| Synonyms |
N-[2-hydroxy-5-(1-hydroxy-2-{[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)phenyl]formamide 2'-hydroxy-5'-{1-hydroxy-2-[(p-methoxy-alpha-methylphenethyl)amino]ethyl}formanilide 2'-hydroxy-5'-(1-hydroxy-2-((p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide |
|
| Definitions |
A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63082 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D07990 CAS:73573-87-2 KEGG:C07805
|
|
| definition |
A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent.
|
|
| formula |
C19H24N2O4
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
N-[2-hydroxy-5-(1-hydroxy-2-{[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)phenyl]formamide 2'-hydroxy-5'-{1-hydroxy-2-[(p-methoxy-alpha-methylphenethyl)amino]ethyl}formanilide 2'-hydroxy-5'-(1-hydroxy-2-((p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide
|
|
| id |
CHEBI:63082
|
|
| in_subset | ||
| inchi |
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
|
|
| inchikey |
BPZSYCZIITTYBL-UHFFFAOYSA-N
|
|
| label |
N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide
|
|
| mass |
344.40490
|
|
| monoisotopicmass |
344.17361
|
|
| notation |
CHEBI:63082
|
|
| prefLabel |
N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide
|
|
| smiles |
[H]C(=O)Nc1cc(ccc1O)C(O)CNC(C)Cc1ccc(OC)cc1
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_35681 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_35681 |
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| Mapping To | Ontology | Source |
|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_63082 | DRON | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_63082 | PDRO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_63082 | BERO | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_63082 | DDSS | SAME_URI |
| http://purl.obolibrary.org/obo/CHEBI_63082 | DRON | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_63082 | PDRO | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_63082 | BERO | LOOM |
| http://purl.obolibrary.org/obo/CHEBI_63082 | DDSS | LOOM |