Summary

IMPPAT Phytochemical identifier: IMPHY017720

Phytochemical name: 2-Naphthalenemethanol

Synonymous chemical names:
2-naphthalenemethanol

External chemical identifiers:
CID:74128, ChEMBL:CHEMBL150445, ChEBI:27615, ZINC:ZINC000000968147, SureChEMBL:SCHEMBL94384, MolPort-001-785-979

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Chemical structure information

SMILES:
OCc1ccc2c(c1)cccc2

InChI:
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2

InChIKey:
MFGWMAAZYZSWMY-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6)cccc6

Functional groups:
CO

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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

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 0.17

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Chemical structure download