Summary

IMPPAT Phytochemical identifier: IMPHY004504

Phytochemical name: Aristolamide

Synonymous chemical names:
aristolamide, aristoloamide

External chemical identifiers:
CID:53320351, ChEMBL:CHEMBL1684821

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Chemical structure information

SMILES:
COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)N

InChI:
InChI=1S/C17H13NO4/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H2,18,19)

InChIKey:
WRICUAQTIAJGKC-UHFFFAOYSA-N

DeepSMILES:
COcccccc6cccc6cOCOc5cc9C=O)N

Functional groups:
c1cOCO1, cC(N)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccc3c(c12)OCO3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCC3OCOC3C12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 0.302

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Chemical structure download