Summary

IMPPAT Phytochemical identifier: IMPHY001687

Phytochemical name: 6-Formyl-7-methoxycoumarin

Synonymous chemical names:
angelical, crenulatin

External chemical identifiers:
CID:160756

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Chemical structure information

SMILES:
COc1cc2oc(=O)ccc2cc1C=O

InChI:
InChI=1S/C11H8O4/c1-14-9-5-10-7(4-8(9)6-12)2-3-11(13)15-10/h2-6H,1H3

InChIKey:
JZYCZVLVWUCHTP-UHFFFAOYSA-N

DeepSMILES:
COcccoc=O)ccc6cc%10C=O

Functional groups:
c=O, cC=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 0.64

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Chemical structure download