Antroquinonol X

Details

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Internal ID f99dd084-0be6-4190-a9b3-152bf2d5c563
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name (2S)-2-(4,8-dimethylnona-3,7-dienyl)-7-methoxy-2,5-dimethylchromen-6-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H32O3/c1-16(2)9-7-10-17(3)11-8-13-23(5)14-12-19-18(4)22(24)21(25-6)15-20(19)26-23/h9,11-12,14-15,24H,7-8,10,13H2,1-6H3/t23-/m0/s1
InChI Key AGUVEQLHXOYHEK-QHCPKHFHSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H32O3
Molecular Weight 356.50 g/mol
Exact Mass 356.23514488 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 6.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Antroquinonol X

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 99.26% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.29% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.44% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.82% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 92.22% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.67% 92.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.71% 86.33%
CHEMBL2581 P07339 Cathepsin D 88.49% 98.95%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 86.37% 83.57%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.63% 85.14%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.01% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.62% 89.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 83.39% 89.50%
CHEMBL4208 P20618 Proteasome component C5 83.34% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.29% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.40% 92.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.50% 95.89%
CHEMBL1255126 O15151 Protein Mdm4 80.44% 90.20%

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.
There are no matching plants.

Cross-Links

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PubChem 139589783
LOTUS LTS0088818
wikiData Q104912057