Summary

IMPPAT Phytochemical identifier: IMPHY013911

Phytochemical name: Naringenin 5-methyl ether

Synonymous chemical names:
naringenin-5-methyl ether

External chemical identifiers:
CID:188424, ChEMBL:CHEMBL501251, SureChEMBL:SCHEMBL773766, MolPort-005-944-711

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Chemical structure information

SMILES:
COc1cc(O)cc2c1C(=O)CC(O2)c1ccc(cc1)O

InChI:
InChI=1S/C16H14O5/c1-20-14-6-11(18)7-15-16(14)12(19)8-13(21-15)9-2-4-10(17)5-3-9/h2-7,13,17-18H,8H2,1H3

InChIKey:
CWZLMWSCLBFCBY-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6C=O)CCO6)cccccc6))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.702

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Chemical structure download