Summary

IMPPAT Phytochemical identifier: IMPHY001362

Phytochemical name: 8-Hydroxyartemidin

Synonymous chemical names:
8-hydroxyartemidin

External chemical identifiers:
CID:44575586, ChEMBL:CHEMBL446590

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Chemical structure information

SMILES:
CC/C=C/c1cc2cccc(c2c(=O)o1)O

InChI:
InChI=1S/C13H12O3/c1-2-3-6-10-8-9-5-4-7-11(14)12(9)13(15)16-10/h3-8,14H,2H2,1H3/b6-3+

InChIKey:
KIVJBPPONQCANS-ZZXKWVIFSA-N

DeepSMILES:
CC/C=C/cccccccc6c=O)o%10)))O

Functional groups:
c/C=C/C, c=O, cO, 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: 1.417

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Chemical structure download