CHEBI:9386 - Tabernanthine

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ChEBI Name Tabernanthine
ChEBI ID CHEBI:9386
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H26N2O
Net Charge 0
Average Mass 310.434
Monoisotopic Mass 310.205
InChI InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1
InChIKey UCIDWKVIQZIKEK-NXWOVTFFSA-N
SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(OC)ccc12
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 Tabernanthine (CHEBI:9386) is a alkaloid (CHEBI:22315)
Synonym Source
Tabernanthine KEGG COMPOUND
Manual Xrefs Databases
C00001772 KNApSAcK
C09274 KEGG COMPOUND
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Registry Number Type Source
83-94-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014