Summary

IMPPAT Phytochemical identifier: IMPHY012786

Phytochemical name: Pinostrobin chalcone

Synonymous chemical names:
2',6'-dihydroxy-4'-methoxychalcone

External chemical identifiers:
CID:5316793, ChEMBL:CHEMBL317221, ChEBI:174555, ZINC:ZINC000004252574, SureChEMBL:SCHEMBL3483741, MolPort-000-165-366

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1)O)C(=O)/C=C/c1ccccc1

InChI:
InChI=1S/C16H14O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+

InChIKey:
CUGDOWNTXKLQMD-BQYQJAHWSA-N

DeepSMILES:
COcccO)ccc6)O))C=O)/C=C/cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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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: 0.561

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Chemical structure download