Summary

IMPPAT Phytochemical identifier: IMPHY007369

Phytochemical name: Paradol

Synonymous chemical names:
6-paradol, [6]-paradol, paradol

External chemical identifiers:
CID:94378, ChEMBL:CHEMBL2071440, ChEBI:10137, ZINC:ZINC000001531857, FDASRS:BO24ID7E9U, SureChEMBL:SCHEMBL971599, MolPort-001-741-446

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Chemical structure information

SMILES:
CCCCCCCC(=O)CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3

InChIKey:
CZNLTCTYLMYLHL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)CCcccccc6)OC)))O

Functional groups:
CC(C)=O, cO, cOC

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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: Methoxyphenols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.982

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Chemical structure download