Summary

IMPPAT Phytochemical identifier: IMPHY003265

Phytochemical name: Phloroglucinol

Synonymous chemical names:
phloroglucin, phloroglucinol

External chemical identifiers:
CID:359, ChEMBL:CHEMBL473159, ChEBI:16204, ZINC:ZINC000000391883, FDASRS:DHD7FFG6YS, SureChEMBL:SCHEMBL26311, MolPort-000-871-966

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Chemical structure information

SMILES:
Oc1cc(O)cc(c1)O

InChI:
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

InChIKey:
QCDYQQDYXPDABM-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Benzenetriols and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Oligomeric phloroglucinols (phlorotannins)

NP-Likeness score: 0.771

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Chemical structure download