Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010263

Phytochemical name: 8-Prenylnaringenin

Synonymous chemical names:
sophoraflavanone b, 8-c-prenylnaringenin

External chemical identifiers:
CID:CID_480764, ChEMBL:CHEMBL376915, ChEBI:CHEBI:50207, ZINC:ZINC000000039452, FDASRS:5L872SZR8X, SureChEMBL:SCHEMBL1171435, MolPort-039-339-003

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)C

InChI:
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1

InChIKey:
LPEPZZAVFJPLNZ-SFHVURJKSA-N

DeepSMILES:
CC=CCccO)cccc6O[C@@H]CC6=O)))cccccc6))O)))))))))O)))))))C

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

Link to spectral information:
MSBNK-NaToxAq-NA003219, MSBNK-NaToxAq-NA003222, MSBNK-NaToxAq-NA003220, MSBNK-NaToxAq-NA003221, MSBNK-NaToxAq-NA003584, MSBNK-NaToxAq-NA003586, MSBNK-NaToxAq-NA003587, MSBNK-NaToxAq-NA003588, MSBNK-NaToxAq-NA002843, MSBNK-NaToxAq-NA003585, MSBNK-NaToxAq-NA002842, MSBNK-NaToxAq-NA003223, MSBNK-NaToxAq-NA002840, MSBNK-BS-BS003000, MSBNK-BS-BS003001, MSBNK-BS-BS003002, MSBNK-NaToxAq-NA002444, MSBNK-NaToxAq-NA002841, MSBNK-BS-BS003003, MSBNK-NaToxAq-NA002446, MSBNK-NaToxAq-NA002447, MSBNK-NaToxAq-NA002448, MSBNK-NaToxAq-NA002839, MSBNK-NaToxAq-NA002445

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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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.2

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Chemical structure download