Summary

IMPPAT Phytochemical identifier: IMPHY012353

Phytochemical name: Aristolactam AII

Synonymous chemical names:
aristolactam aii

External chemical identifiers:
CID:148657, ChEMBL:CHEMBL390368, ZINC:ZINC000001612828, MolPort-039-141-798

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Chemical structure information

SMILES:
COc1c(O)cc2c3c1c1ccccc1cc3NC2=O

InChI:
InChI=1S/C16H11NO3/c1-20-15-12(18)7-10-13-11(17-16(10)19)6-8-4-2-3-5-9(8)14(13)15/h2-7,18H,1H3,(H,17,19)

InChIKey:
ZEKAIRFOYPDZNC-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6cccccc6cc%10NC%13=O

Functional groups:
cNC(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2cc3ccccc3c3cccc1c23

Scaffold Graph/Node level:
OC1NC2CC3CCCCC3C3CCCC1C23

Scaffold Graph level:
CC1CC2CC3CCCCC3C3CCCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aristolactams

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 1.259

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Chemical structure download