Summary

IMPPAT Phytochemical identifier: IMPHY005534

Phytochemical name: Furofoline I

Synonymous chemical names:
furacridone, furofoline i

External chemical identifiers:
CID:5281842, ChEBI:5197

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Chemical structure information

SMILES:
Oc1cc2occc2c2c1c(=O)c1ccccc1n2C

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

InChIKey:
ZFFUGPKCSIVPEI-UHFFFAOYSA-N

DeepSMILES:
Occcoccc5cc9c=O)cccccc6n%10C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c1ccc1occc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCC3CCC12

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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: 0.752

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Chemical structure download