Summary

IMPPAT Phytochemical identifier: IMPHY013337

Phytochemical name: Artemidiol

Synonymous chemical names:
artemidiol

External chemical identifiers:
CID:23246261, ChEBI:174201

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Chemical structure information

SMILES:
CCC(C(c1cc2ccccc2c(=O)o1)O)O

InChI:
InChI=1S/C13H14O4/c1-2-10(14)12(15)11-7-8-5-3-4-6-9(8)13(16)17-11/h3-7,10,12,14-15H,2H2,1H3

InChIKey:
CRXSSRPVDGICML-UHFFFAOYSA-N

DeepSMILES:
CCCCcccccccc6c=O)o%10))))))))))O))O

Functional groups:
CO, c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1occc2ccccc12

Scaffold Graph/Node level:
OC1OCCC2CCCCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isocoumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Isocoumarins

NP-Likeness score: 0.85

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Chemical structure download