Summary

IMPPAT Phytochemical identifier: IMPHY003098

Phytochemical name: Nandazurine

Synonymous chemical names:
nandazurine

External chemical identifiers:
CID:3084902

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Chemical structure information

SMILES:
COc1cc2cc[n+](c3c2c(-c2cc4OCOc4cc2C3=O)c1O)C

InChI:
InChI=1S/C19H13NO5/c1-20-4-3-9-5-14(23-2)19(22)16-10-6-12-13(25-8-24-12)7-11(10)18(21)17(20)15(9)16/h3-7H,8H2,1-2H3/p+1

InChIKey:
QOWCORXRCGDPJH-UHFFFAOYSA-O

DeepSMILES:
COccccc[n+]cc6c-cccOCOc5cc9C%13=O)))))))))))c%10O)))))C

Functional groups:
c1cOCO1, cC(c)=O, cO, cOC, c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2cc3c(cc2-c2cccc4cc[nH+]c1c24)OCO3

Scaffold Graph/Node level:
OC1C2CC3OCOC3CC2C2CCCC3CCNC1C32

Scaffold Graph level:
CC1C2CC3CCCC3CC2C2CCCC3CCCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.377

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Chemical structure download