CHEBI:9512 - Thalidasine

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ChEBI Name Thalidasine
ChEBI ID CHEBI:9512
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H44N2O7
Net Charge 0
Average Mass 652.777
Monoisotopic Mass 652.31485
InChI InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
InChIKey SVQMVSCWYACSCP-KYJUHHDHSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(Oc5c6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c6cc(OC)c5OC)c34
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 Thalidasine (CHEBI:9512) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Thalidasine (CHEBI:9512) is a isoquinolines (CHEBI:24922)
Synonym Source
Thalidasine KEGG COMPOUND
Manual Xrefs Databases
C00001921 KNApSAcK
C09656 KEGG COMPOUND
View more database links
Registry Number Type Source
16623-56-6 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016