Summary

IMPPAT Phytochemical identifier: IMPHY012500

Phytochemical name: Norviburtinal

Synonymous chemical names:
norviburtinal

External chemical identifiers:
CID:390664, ChEMBL:CHEMBL1996335, ZINC:ZINC000001651272, SureChEMBL:SCHEMBL96526, MolPort-004-766-214

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Chemical structure information

SMILES:
O=Cc1ccc2-c1cocc2

InChI:
InChI=1S/C9H6O2/c10-5-8-2-1-7-3-4-11-6-9(7)8/h1-6H

InChIKey:
VRMFZTBAWYVGGB-UHFFFAOYSA-N

DeepSMILES:
O=Ccccc-c5cocc6

Functional groups:
cC=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2ccocc-2c1

Scaffold Graph/Node level:
C1CC2CCOCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 0.869

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Chemical structure download