Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018033

Phytochemical name: 4-H furo [2,3-b][1]benzopyran-4-one,2,3,dihydro-2,2,3,3-tetramethyl

Synonymous chemical names:
4-H furo [2,3-b][1]benzopyran-4-one,2,3,dihydro-2,2,3,3-tetramethyl

Chemical structure information

SMILES:
O=c1c2ccccc2oc2c1C(C)(C)C(O2)(C)C

InChI:
InChI=1S/C15H16O3/c1-14(2)11-12(16)9-7-5-6-8-10(9)17-13(11)18-15(14,3)4/h5-8H,1-4H3

InChIKey:
ZDFKCYGYOJYXJU-UHFFFAOYSA-N

DeepSMILES:
O=ccccccc6occ%10CC)C)CO5)C)C

Functional groups:
c=O, coc, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)OCC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2OCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.764

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Chemical structure download