Summary

IMPPAT Phytochemical identifier: IMPHY015294

Phytochemical name: 2-Pentyl-5-propylresorcinol

Synonymous chemical names:
2-pentyl-5-propylresorcinol

External chemical identifiers:
CID:102003488

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Chemical structure information

SMILES:
CCCCCc1c(O)cc(cc1O)CCC

InChI:
InChI=1S/C14H22O2/c1-3-5-6-8-12-13(15)9-11(7-4-2)10-14(12)16/h9-10,15-16H,3-8H2,1-2H3

InChIKey:
DECZQBFAKSKOMG-UHFFFAOYSA-N

DeepSMILES:
CCCCCccO)cccc6O)))CCC

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: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropanes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.767

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Chemical structure download