Summary

IMPPAT Phytochemical identifier: IMPHY017026

Phytochemical name: 5-Azulenemethanol

Synonymous chemical names:
5-azulenemethanol

External chemical identifiers:
CID:124121996, SureChEMBL:SCHEMBL18297788

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Chemical structure information

SMILES:
OCc1cccc2-c(c1)ccc2

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

InChIKey:
YTJZRHVGZOVOMX-UHFFFAOYSA-N

DeepSMILES:
OCccccc-cc7)ccc5

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cccc-2cc1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Terphenyls

NP Classifier Class: p-Terphenyls

NP-Likeness score: 0.107

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Chemical structure download