Summary

IMPPAT Phytochemical identifier: IMPHY006016

Phytochemical name: 5-Pentadecylresorcinol

Synonymous chemical names:
cardol

External chemical identifiers:
CID:76617, ChEMBL:CHEMBL98610, ChEBI:2120, ZINC:ZINC000006920372, FDASRS:U1FU33YCG0, SureChEMBL:SCHEMBL406402, MolPort-006-114-877

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3

InChIKey:
KVVSCMOUFCNCGX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCcccO)ccc6)O

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: Phenols

ClassyFire Subclass: Benzenediols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.569

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Chemical structure download