Summary

IMPPAT Phytochemical identifier: IMPHY007629

Phytochemical name: Benzyl 2,6-dihydroxybenzoate

Synonymous chemical names:
benzyl 2,6-dihydroxybenzoate

External chemical identifiers:
CID:10586364, SureChEMBL:SCHEMBL3919215

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Chemical structure information

SMILES:
O=C(c1c(O)cccc1O)OCc1ccccc1

InChI:
InChI=1S/C14H12O4/c15-11-7-4-8-12(16)13(11)14(17)18-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2

InChIKey:
UONCJNZKQVIGHS-UHFFFAOYSA-N

DeepSMILES:
O=CccO)cccc6O)))))))OCcccccc6

Functional groups:
cC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.051

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Chemical structure download