Summary

IMPPAT Phytochemical identifier: IMPHY006057

Phytochemical name: 2-Amino-1,4-naphthoquinone

Synonymous chemical names:
2-aminonaphthaquinone, 2-aminonaphthoquinone

External chemical identifiers:
CID:72909, ChEMBL:CHEMBL415711, ZINC:ZINC000011525762, FDASRS:7GHA3V7I78, SureChEMBL:SCHEMBL228360, MolPort-001-836-886

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Chemical structure information

SMILES:
O=C1C=C(N)C(=O)c2c1cccc2

InChI:
InChI=1S/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2

InChIKey:
CYCRZLRIJWDWCM-UHFFFAOYSA-N

DeepSMILES:
O=CC=CN)C=O)cc6cccc6

Functional groups:
NC1=CC(=O)ccC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.254

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Chemical structure download