Summary

IMPPAT Phytochemical identifier: IMPHY015710

Phytochemical name: Glyinflanin G

Synonymous chemical names:
glyinflanin g

External chemical identifiers:
CID:15233561, ZINC:ZINC000015262046

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Chemical structure information

SMILES:
Oc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(O3)(C)C)cc2c1OC(C)(C)C=C2

InChI:
InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+

InChIKey:
JIQHAMDPLDKKBS-FNORWQNLSA-N

DeepSMILES:
Occc/C=C/C=O)cccccc6O))C=CCO6)C)C))))))))))))ccc6OCC)C)C=C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)C=CCO2)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCC2OCCCC2C1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCC2CCCCC2C1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.928

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Chemical structure download