Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002465

Phytochemical name: Cardamonin

Synonymous chemical names:
Cardamomin, cardamonin, cardamonin ( a chalcone)

External chemical identifiers:
CID:CID_641785, ChEMBL:CHEMBL378104, ZINC:ZINC000004716487, FDASRS:H8KP1OJ8JX, SureChEMBL:SCHEMBL449220, MolPort-000-165-365

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Chemical structure information

SMILES:
COc1cc(O)cc(c1C(=O)/C=C/c1ccccc1)O

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

InChIKey:
NYSZJNUIVUBQMM-BQYQJAHWSA-N

DeepSMILES:
COcccO)ccc6C=O)/C=C/cccccc6))))))))))O

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

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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: 0.926

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Chemical structure download