Summary

IMPPAT Phytochemical identifier: IMPHY008540

Phytochemical name: 1,3-Dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one

Synonymous chemical names:
glycocitrine ii

External chemical identifiers:
CID:11781835, ChEMBL:CHEMBL451704

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc(c2c1n(C)c1ccccc1c2=O)O)C

InChI:
InChI=1S/C19H19NO3/c1-11(2)8-9-13-15(21)10-16(22)17-18(13)20(3)14-7-5-4-6-12(14)19(17)23/h4-8,10,21-22H,9H2,1-3H3

InChIKey:
ZVEGIYHOVGYFQS-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6nC)cccccc6c%10=O)))))))))))O)))))))C

Functional groups:
CC=C(C)C, c=O, cO, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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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: 1.454

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Chemical structure download