CHEBI:3346 - Cancentrine

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ChEBI Name Cancentrine
ChEBI ID CHEBI:3346
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H34N2O7
Net Charge 0
Average Mass 606.666
Monoisotopic Mass 606.23660
InChI InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1
InChIKey XWPPHGONALRWBY-SMUAMFJKSA-N
SMILES COc1ccc2C[C@H]3[C@H]4C[C@]5([C@H]6Oc1c2[C@@]46CCN3C)N1CCc2ccc(OC)c3Oc4c(O)c(OC)ccc4C(C5=O)=C1c23
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 Cancentrine (CHEBI:3346) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Cancentrine (CHEBI:3346) is a dibenzooxazepine (CHEBI:53802)
Synonym Source
Cancentrine KEGG COMPOUND
Manual Xrefs Databases
C00001828 KNApSAcK
C09370 KEGG COMPOUND
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Registry Number Type Source
29477-90-5 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016