Summary

IMPPAT Phytochemical identifier: IMPHY008182

Phytochemical name: 6-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

Synonymous chemical names:
de-n-methyl-acronycine, de-n-methylacronycine, des-n-methylacronycine

External chemical identifiers:
CID:6325047, ChEMBL:CHEMBL454827, ZINC:ZINC000013307709

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Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1

InChI:
InChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21)

InChIKey:
NEYQKEUFRBPEJP-UHFFFAOYSA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10c=O)cc[nH]6)cccc6

Functional groups:
c=O, cC=CC, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 1.816

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Chemical structure download