CHEBI:2708 - Androcymbine

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ChEBI Name Androcymbine
ChEBI ID CHEBI:2708
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25NO5
Net Charge 0
Average Mass 371.428
Monoisotopic Mass 371.17327
InChI InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1
InChIKey ABMMKLCVJJTPJD-LHSJRXKWSA-N
SMILES COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(OC)c24)C3=CC1=O
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 Androcymbine (CHEBI:2708) is a isoquinoline alkaloid (CHEBI:24921)
Synonym Source
Androcymbine KEGG COMPOUND
Manual Xrefs Databases
C00002314 KNApSAcK
C10569 KEGG COMPOUND
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Registry Number Type Source
2115-98-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014