(Q83117234)

English

4-Pyridinecarbonitrile, 2-(1-(12,13-dihydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)ethyl)-, (R,S)-

chemical compound

In more languages

Statements

type of chemical entity

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pyridine alkaloids

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benzo[c]phenanthridine alkaloid

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479.18450628 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₅N₃O₄

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canonical SMILES

N#CC=1C=CN=C(C1)C(C)C2C=3C(OC)=C(OC)C=CC3C4=CC=C5C=C6OCOC6=CC5=C4N2C

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isomeric SMILES

C[C@@H]([C@@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)C6=NC=CC(=C6)C#N

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Zanthoxylum ailanthoides

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Ailanthoidine, a novel benzo(C)phenanthridine alkaloid with a cyanopyridine pendant, from a Xanthoxylum species.

Studies on the Chemical Constituents of Rutaceous Plants. XLVIII. The Chemical Constituents of Xanthoxylum ailanthoides SIEB. et ZUCC. [Fagara ailanthoides (SIEB. et ZUCC.) ENGL.]. (3) Isolation of the Chemical Constituents of the Bark

Identifiers

InChI=1S/C29H25N3O4/c1-16(22-11-17(14-30)9-10-31-22)27-26-19(7-8-23(33-3)29(26)34-4)20-6-5-18-12-24-25(36-15-35-24)13-21(18)28(20)32(27)2/h5-13,16,27H,15H2,1-4H3/t16-,27-/m1/s1

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OIRFYVWUJLJIKS-CHAGWJKLSA-N

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CAS Registry Number

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1 reference

matched by identifier from

OIRFYVWUJLJIKS-CHAGWJKLSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

OIRFYVWUJLJIKS-CHAGWJKLSA-N

DSSTOX compound identifier

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