Dihydrokanakugiol

Details

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Internal ID 63569689-4d04-4f3a-bdc7-2cdda3e610ae
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylpropan-1-one
SMILES (Canonical) COC1=C(C(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)OC)OC)OC
SMILES (Isomeric) COC1=C(C(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)OC)OC)OC
InChI InChI=1S/C19H22O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-9,21H,10-11H2,1-4H3
InChI Key NTAJFHWMQLZQMI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H22O6
Molecular Weight 346.40 g/mol
Exact Mass 346.14163842 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 3.60

Synonyms

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117842-21-4
UF83QKJ2CR
1-Propanone, 1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenyl-
1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylpropan-1-one
UNII-UF83QKJ2CR
ACon1_001849
DTXSID50151930
CHEBI:178406
1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenyl-1-propanone
LMPK12120563
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Dihydrokanakugiol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.19% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.04% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.73% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.20% 95.50%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.17% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.58% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.14% 99.17%
CHEMBL4208 P20618 Proteasome component C5 85.99% 90.00%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.61% 94.62%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 81.88% 92.67%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.54% 96.95%
CHEMBL3401 O75469 Pregnane X receptor 80.84% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Lindera erythrocarpa
Lindera lucida

Cross-Links

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PubChem 189521
LOTUS LTS0153272
wikiData Q15410929