Summary

IMPPAT Phytochemical identifier: IMPHY000023

Phytochemical name: 8-Methoxy-3-methylnaphthalen-1-ol

Synonymous chemical names:
3-methyl-8-methoxy-1-naphthol

External chemical identifiers:
CID:11355930, ChEMBL:CHEMBL2071228

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Chemical structure information

SMILES:
COc1cccc2c1c(O)cc(c2)C

InChI:
InChI=1S/C12H12O2/c1-8-6-9-4-3-5-11(14-2)12(9)10(13)7-8/h3-7,13H,1-2H3

InChIKey:
IJJNDUUHBYEDNU-UHFFFAOYSA-N

DeepSMILES:
COcccccc6cO)ccc6)C

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthols and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 0.574

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Chemical structure download