Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008356

Phytochemical name: Fluorodaturatin

Synonymous chemical names:
fluorodaturatin, Fluorodaturatin

External chemical identifiers:
CID:CID_179956

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Chemical structure information

SMILES:
Oc1ccc2c(c1)n1C(=O)CCC3=NCCc2c13

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/h1-2,7,17H,3-6H2

InChIKey:
BNFIDCOONSTWGB-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)nC=O)CCC=NCCc%11c%106

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2=NCCc3c2n1c1ccccc31

Scaffold Graph/Node level:
OC1CCC2NCCC3C4CCCCC4N1C23

Scaffold Graph level:
CC1CCC2CCCC3C4CCCCC4C1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Indolonaphthyridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.603

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Chemical structure download