Summary

IMPPAT Phytochemical identifier: IMPHY005139

Phytochemical name: 5-(12-Heptadecenyl)-resorcinol

Synonymous chemical names:
1,5-(12-hepta decenyl)-resoreinol, 5-(12-heptadecenyl)-resorcinol

External chemical identifiers:
CID:442974

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Chemical structure information

SMILES:
CCCCC=CCCCCCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3

InChIKey:
KDUIMXINOLVPCT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CCCCCCCCCCCCcccO)ccc6)O

Functional groups:
CC=CC, 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: 0.999

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Chemical structure download