Summary

IMPPAT Phytochemical identifier: IMPHY006085

Phytochemical name: Fluorodaturatin

Synonymous chemical names:
fluorodaturatin

External chemical identifiers:
CID:5491555

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Chemical structure information

SMILES:
O=C1C=Cc2c(=C1)n1C(=O)CCC3=c1c2CCN3

InChI:
InChI=1S/C14H12N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-2,7,15H,3-6H2

InChIKey:
SYHUJVPPGBCDLV-UHFFFAOYSA-N

DeepSMILES:
O=CC=Ccc=C6)nC=O)CCC=c6c9CCN6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2c3c4n(c2=C1)C(=O)CCC=4NCC3

Scaffold Graph/Node level:
OC1CCC2C3CCNC4CCC(O)N(C2C1)C43

Scaffold Graph level:
CC1CCC2C(C1)C1C(C)CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.655

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Chemical structure download