Summary

IMPPAT Phytochemical identifier: IMPHY001244

Phytochemical name: Licoagrodione

Synonymous chemical names:
licoagrodione

External chemical identifiers:
CID:10360893, ChEBI:175570

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)C(=O)C(=O)c1ccc(c(c1O)CC=C(C)C)O

InChI:
InChI=1S/C20H20O6/c1-11(2)4-6-13-16(21)9-8-15(18(13)23)20(25)19(24)14-7-5-12(26-3)10-17(14)22/h4-5,7-10,21-23H,6H2,1-3H3

InChIKey:
KAQKSYKCXCTGOG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))C=O)C=O)cccccc6O))CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C(=O)c1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(C1CCCCC1)C(O)C1CCCCC1

Scaffold Graph level:
CC(C1CCCCC1)C(C)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.087

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Chemical structure download