CHEBI:178226 - Domesticine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Domesticine
ChEBI ID CHEBI:178226
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H19NO4
Net Charge 0
Average Mass 325.364
Monoisotopic Mass 325.13141
InChI InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
InChIKey ZMNSHBTYBQNBPV-ZDUSSCGKSA-N
SMILES OC=1C2=C3[C@@](N(CCC3=CC1OC)C)(CC=4C2=CC=5OCOC5C4)[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Domesticine (CHEBI:178226) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name
(12S)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
Manual Xrefs Databases
144307 ChemSpider
C19980 KEGG COMPOUND
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Registry Number Type Source
476-71-1 CAS Registry Number ChemIDplus