Summary

IMPPAT Phytochemical identifier: IMPHY000748

Phytochemical name: Euchrestaflavanone A

Synonymous chemical names:
euchrestaflavanone a

External chemical identifiers:
CID:484588, ChEMBL:CHEMBL256340, MolPort-044-754-118

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Chemical structure information

SMILES:
CC(=CCc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2O)O)C

InChI:
InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1

InChIKey:
BMIMEYWWZBBDCM-QHCPKHFHSA-N

DeepSMILES:
CC=CCcccccc6O))))[C@@H]CC=O)ccO6)cCC=CC)C))))ccc6O)))O)))))))))))))C

Functional groups:
CC=C(C)C, 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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.019

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Chemical structure download