Summary

IMPPAT Phytochemical identifier: IMPHY008817

Phytochemical name: Pratosine

Synonymous chemical names:
pratosine

Chemical structure information

SMILES:
COc1cc2c(cc1OC)c(=O)n1c3c2cccc3cc1

InChI:
InChI=1S/C17H13NO3/c1-20-14-8-12-11-5-3-4-10-6-7-18(16(10)11)17(19)13(12)9-15(14)21-2/h3-9H,1-2H3

InChIKey:
QCFCSXRONIUIKL-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))c=O)ncc6cccc6cc9

Functional groups:
c=O, cOC, cn(c)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2c2cccc3ccn1c32

Scaffold Graph/Node level:
OC1C2CCCCC2C2CCCC3CCN1C32

Scaffold Graph level:
CC1C2CCCCC2C2CCCC3CCC1C32

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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: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.052

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Chemical structure download