CHEBI:3148 - Boldine

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ChEBI Name Boldine
ChEBI ID CHEBI:3148
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C19H21NO4
C19H21NO4
Net Charge 0
Average Mass 327.375
Monoisotopic Mass 327.147
InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKey LZJRNLRASBVRRX-ZDUSSCGKSA-N
SMILES COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
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 Boldine (CHEBI:3148) is a aporphine alkaloid (CHEBI:134209)
Synonym Source
Boldine KEGG COMPOUND
Database Links Databases
C00001822 KNApSAcK
C00027304 KNApSAcK
C09365 KEGG COMPOUND
LSM-2047 LINCS
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Registry Number Type Source
476-70-0 CAS Registry Number KEGG COMPOUND
Last Modified
04 January 2017