Summary

IMPPAT Phytochemical identifier: IMPHY008026

Phytochemical name: Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-

Synonymous chemical names:
integriamide

External chemical identifiers:
CID:155897

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Chemical structure information

SMILES:
O=CN(c1c(ccc2c1cc1OCOc1c2)c1cc2OCOc2cc1O)C

InChI:
InChI=1S/C20H15NO6/c1-21(8-22)20-12(14-6-18-19(7-15(14)23)27-10-26-18)3-2-11-4-16-17(5-13(11)20)25-9-24-16/h2-8,23H,9-10H2,1H3

InChIKey:
TVGSPKUWBOWRHI-UHFFFAOYSA-N

DeepSMILES:
O=CNcccccc6ccOCOc5c9)))))))))))cccOCOc5cc9O))))))))))))C

Functional groups:
c1cOCO1, cN(C)C=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cc1-c1ccc3cc4c(cc3c1)OCO4)OCO2

Scaffold Graph/Node level:
C1OC2CCC(C3CCC4CC5OCOC5CC4C3)CC2O1

Scaffold Graph level:
C1CC2CCC(C3CCC4CC5CCCC5CC4C3)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Benzophenanthridine alkaloids

ClassyFire Subclass: Secobenzophenanthridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP-Likeness score: 1.022

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Chemical structure download