Summary

IMPPAT Phytochemical identifier: IMPHY016807

Phytochemical name: Anisole, p-undecyl-

Synonymous chemical names:
p-undecylanisole

External chemical identifiers:
CID:578720

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Chemical structure information

SMILES:
CCCCCCCCCCCc1ccc(cc1)OC

InChI:
InChI=1S/C18H30O/c1-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19-2)16-14-17/h13-16H,3-12H2,1-2H3

InChIKey:
NBQNHOLVIKSXDR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCcccccc6))OC

Functional groups:
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: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.073

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Chemical structure download