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Chemical Entities of Biological Interest Ontology
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January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_64028
http://purl.obolibrary.org/obo/CHEBI_64028
|
|---|---|
| Preferred Name | 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one |
| Definitions |
A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.
|
| Synonyms |
2-oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine
1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7. |
|---|---|
| label |
9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
|
| prefLabel |
9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
|
| database_cross_reference |
LINCS:LSM-36891
KEGG:D08575
KEGG:C11168
Reaxys:309381
CAS:58-46-8
|
| notation |
CHEBI:64028
|
| in_subset | |
| inchi |
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
|
| has_related_synonym |
2-oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine
1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine
|
| id |
CHEBI:64028
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C19H27NO3
|
| subClassOf | |
| inchikey |
MKJIEFSOBYUXJB-UHFFFAOYSA-N
|
| mass |
317.42260
|
| monoisotopicmass |
317.19909
|
| type | |
| smiles |
COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
|
| has_exact_synonym |
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
|
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