CHEBI:9509 - thalicarpine

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ChEBI Name thalicarpine
ChEBI ID CHEBI:9509
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H48N2O8
Net Charge 0
Average Mass 696.82850
Monoisotopic Mass 696.34107
InChI InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1
InChIKey ZCTJIMXXSXQXRI-KYJUHHDHSA-N
SMILES [H][C@@]1(Cc2cc(OC)c(OC)cc2Oc2cc3C[C@]4([H])N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)N(C)CCc2cc(OC)c(OC)cc12
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 thalicarpine (CHEBI:9509) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
thalicarpine (CHEBI:9509) is a isoquinolines (CHEBI:24922)
IUPAC Names
(6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
(6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxyaporphine
Synonyms Sources
Taliblastine ChemIDplus
TBL ChemIDplus
Thalicarpine KEGG COMPOUND
Manual Xrefs Databases
C00001920 KNApSAcK
C09655 KEGG COMPOUND
View more database links
Registry Number Type Source
5373-42-2 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016