Summary

IMPPAT Phytochemical identifier: IMPHY010733

Phytochemical name: Taifine

Synonymous chemical names:
taifine

Chemical structure information

SMILES:
COc1ccc2c(c1)n(CC)c1c(c2=O)cco1

InChI:
InChI=1S/C14H13NO3/c1-3-15-12-8-9(17-2)4-5-10(12)13(16)11-6-7-18-14(11)15/h4-8H,3H2,1-2H3

InChIKey:
NTWKCDCNZLHNHW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)nCC))ccc6=O))cco5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2occc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2OCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Furanoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 0.381

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Chemical structure download