Summary

IMPPAT Phytochemical identifier: IMPHY009447

Phytochemical name: 6,7-Dimethoxy-2-(2-(4-methoxyphenyl)ethyl)chromone

Synonymous chemical names:
6,7-dimethoxy-2-[2-(4-methoxyphenyl)ethyl] chromone

External chemical identifiers:
CID:195226

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Chemical structure information

SMILES:
COc1ccc(cc1)CCc1cc(=O)c2c(o1)cc(c(c2)OC)OC

InChI:
InChI=1S/C20H20O5/c1-22-14-7-4-13(5-8-14)6-9-15-10-17(21)16-11-19(23-2)20(24-3)12-18(16)25-15/h4-5,7-8,10-12H,6,9H2,1-3H3

InChIKey:
WYSWREVQEJRZIQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))CCccc=O)cco6)cccc6)OC)))OC

Functional groups:
c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(CCc2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(CCC2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.421

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Chemical structure download