Summary

IMPPAT Phytochemical identifier: IMPHY000991

Phytochemical name: 2-(2-Phenylethyl)chromone

Synonymous chemical names:
2-2-phenylethylchromone

External chemical identifiers:
CID:441964, ChEMBL:CHEMBL481060, ChEBI:5092, ZINC:ZINC000000897928, SureChEMBL:SCHEMBL5826185, MolPort-047-581-969

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Chemical structure information

SMILES:
O=c1cc(CCc2ccccc2)oc2c1cccc2

InChI:
InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2

InChIKey:
VNZNWFQJBFLELF-UHFFFAOYSA-N

DeepSMILES:
O=cccCCcccccc6))))))))occ6cccc6

Functional groups:
c=O, 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: 0.388

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Chemical structure download