Summary

IMPPAT Phytochemical identifier: IMPHY007040

Phytochemical name: Hydroxytyrosol

Synonymous chemical names:
2-(3,4-dihydroxyphenyl)ethanol, 3-4-dihydroxy-phenethyl-alcohol, 34-dihydroxyphenylethanol, hydroxytyrosol

External chemical identifiers:
CID:82755, ChEMBL:CHEMBL1950045, ChEBI:68889, ZINC:ZINC000002379217, FDASRS:QEU0NE4O90, SureChEMBL:SCHEMBL44363, MolPort-006-328-652

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Chemical structure information

SMILES:
OCCc1ccc(c(c1)O)O

InChI:
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2

InChIKey:
JUUBCHWRXWPFFH-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6)O))O

Functional groups:
CO, 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: Tyrosols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 1.193

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Chemical structure download