Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004154

Phytochemical name: Acridone

Synonymous chemical names:
acridone

External chemical identifiers:
CID:CID_2015, ChEMBL:CHEMBL436589, ChEBI:CHEBI:50756, ZINC:ZINC000008628578, FDASRS:6BK306GUQA, SureChEMBL:SCHEMBL19289, MolPort-000-732-014

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Chemical structure information

SMILES:
O=c1c2ccccc2[nH]c2c1cccc2

InChI:
InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)

InChIKey:
FZEYVTFCMJSGMP-UHFFFAOYSA-N

DeepSMILES:
O=ccccccc6[nH]cc%10cccc6

Functional groups:
c=O, c[nH]c

Link to spectral information:
MSBNK-UFZ-WANA248303B085PH, MSBNK-UFZ-WANA2483237762PH, MSBNK-UFZ-WANA2483213166PH, MSBNK-UFZ-WANA248325AF82PH, MSBNK-UFZ-WANA2483155BE0PH, MSBNK-UFZ-WANA248313D9F1PH, MSBNK-UFZ-WANA248311C9CFPH, MSBNK-UFZ-WANA248305070APH, MSBNK-UFZ-WANA248301AD6CPH, MSBNK-Athens_Univ-AU231003, MSBNK-Athens_Univ-AU231059, MSBNK-Athens_Univ-AU231058, MSBNK-Athens_Univ-AU231057, MSBNK-Athens_Univ-AU231006, MSBNK-Athens_Univ-AU231005, MSBNK-Athens_Univ-AU231004, MSBNK-Athens_Univ-AU231002, MSBNK-Athens_Univ-AU231001, MSBNK-Athens_Univ-AU231060

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 0.09

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Chemical structure download