CHEBI:36323 - oxyacanthan

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ChEBI Name oxyacanthan
ChEBI ID CHEBI:36323
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H30N2O2
Net Charge 0
Average Mass 474.59288
Monoisotopic Mass 474.23073
InChI InChI=1S/C32H30N2O2/c1-3-22-17-26(5-1)35-25-10-7-21(8-11-25)18-30-32-24(14-16-34-30)4-2-6-31(32)36-27-12-9-23-13-15-33-29(19-22)28(23)20-27/h1-12,17,20,29-30,33-34H,13-16,18-19H2/t29-,30+/m1/s1
InChIKey MZSYZRMPLNZZJS-IHLOFXLRSA-N
SMILES [H][C@]12Cc3cccc(Oc4ccc(C[C@]5([H])NCCc6cccc(Oc7ccc(CCN1)c2c7)c56)cc4)c3
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 oxyacanthan (CHEBI:36323) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
oxyacanthan (CHEBI:36323) is a isoquinoline alkaloid fundamental parent (CHEBI:38515)
Incoming oxyacanthine (CHEBI:7853) has parent hydride oxyacanthan (CHEBI:36323)
IUPAC Name
oxyacanthan
Last Modified
12 August 2016