Summary

IMPPAT Phytochemical identifier: IMPHY002052

Phytochemical name: Coriandrin

Synonymous chemical names:
4-methoxy-7-methyl-5h-furo[2,3-g]benzopyran-5-one (coriandrin), coriandrin

External chemical identifiers:
CID:119586, ChEBI:174178, MolPort-047-145-411

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Chemical structure information

SMILES:
COc1c2c(=O)oc(cc2cc2c1cco2)C

InChI:
InChI=1S/C13H10O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-6H,1-2H3

InChIKey:
BUZQIMYNOWPYHH-UHFFFAOYSA-N

DeepSMILES:
COccc=O)occc6ccc%10cco5))))))))C

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1occc2cc3occc3cc12

Scaffold Graph/Node level:
OC1OCCC2CC3OCCC3CC21

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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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: 1.126

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Chemical structure download