2'-Hydroxy-4'-prenyloxychalcone

Details

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Internal ID 55654f0c-de3f-48e5-b835-37e484c6403a
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name 1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
SMILES (Canonical) CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O)C
SMILES (Isomeric) CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2)O)C
InChI InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3
InChI Key DGUGLZYULGVSIZ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H20O3
Molecular Weight 308.40 g/mol
Exact Mass 308.14124450 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2'-Hydroxy-4'-prenyloxychalcone

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.21% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.88% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.52% 99.17%
CHEMBL2581 P07339 Cathepsin D 93.28% 98.95%
CHEMBL4208 P20618 Proteasome component C5 92.74% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.19% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 91.26% 94.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.84% 95.50%
CHEMBL3401 O75469 Pregnane X receptor 90.39% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.37% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.34% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.01% 99.15%
CHEMBL2535 P11166 Glucose transporter 86.37% 98.75%
CHEMBL221 P23219 Cyclooxygenase-1 86.27% 90.17%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.46% 91.71%

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.
Lonchocarpus sericeus
Millettia erythrocalyx

Cross-Links

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PubChem 217608
LOTUS LTS0167088
wikiData Q104166399