Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003816

Phytochemical name: Sakuranetin

Synonymous chemical names:
naringenin-7-methyl ether, sakuranetin, sakuranetin(5,4'-dihydroxy-7-methoxyflavone)

External chemical identifiers:
CID:CID_73571, ChEMBL:CHEMBL448297, ChEBI:CHEBI:28927, ZINC:ZINC000000338284, FDASRS:3O38P61299, SureChEMBL:SCHEMBL555542, MolPort-039-052-519

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Chemical structure information

SMILES:
COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O

InChI:
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1

InChIKey:
DJOJDHGQRNZXQQ-AWEZNQCLSA-N

DeepSMILES:
COcccO[C@@H]CC=O)c6cc%10)O)))))cccccc6))O

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS086605, MSBNK-Osaka_Univ-OUF00449, MSBNK-Osaka_Univ-OUF00450, MSBNK-RIKEN-PR020021, MSBNK-RIKEN_ReSpect-PS086601, MSBNK-RIKEN_ReSpect-PS086602, MSBNK-RIKEN_ReSpect-PS086603, MSBNK-RIKEN_ReSpect-PS086604

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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: 1.504

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Chemical structure download