CHEBI:2529 - Aknadicine

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ChEBI Name Aknadicine
ChEBI ID CHEBI:2529
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H23NO5
Net Charge 0
Average Mass 345.390
Monoisotopic Mass 345.15762
InChI InChI=1S/C19H23NO5/c1-23-13-5-4-11-6-7-19-17(25-3)16(24-2)12(21)10-18(19,8-9-20-19)14(11)15(13)22/h4-5,20,22H,6-10H2,1-3H3/t18-,19+/m0/s1
InChIKey KTRLYLXLXTXHPM-RBUKOAKNSA-N
SMILES COc1ccc2CC[C@]34NCC[C@]3(CC(=O)C(OC)=C4OC)c2c1O
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 )
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ChEBI Ontology
Outgoing Aknadicine (CHEBI:2529) is a isoquinoline alkaloid (CHEBI:24921)
Synonym Source
Aknadicine KEGG COMPOUND
Manual Xrefs Databases
C00001793 KNApSAcK
C09325 KEGG COMPOUND
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Registry Number Type Source
24148-89-8 CAS Registry Number KEGG COMPOUND
Last Modified
20 May 2016