3'-OH-tetrahydroauroglaucin

Details

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Internal ID e16e834c-304d-4dd7-b70c-3b974c6db59b
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones
IUPAC Name 2,5-dihydroxy-6-[(E)-3-hydroxyhept-1-enyl]-3-(3-methylbut-2-enyl)benzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H26O4/c1-4-5-6-15(21)9-10-16-17(12-20)19(23)14(11-18(16)22)8-7-13(2)3/h7,9-12,15,21-23H,4-6,8H2,1-3H3/b10-9+
InChI Key ODHGKWRJNLFKET-MDZDMXLPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H26O4
Molecular Weight 318.40 g/mol
Exact Mass 318.18310931 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3'-OH-tetrahydroauroglaucin

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
CHEMBL2581 P07339 Cathepsin D 98.86% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.65% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 94.40% 94.73%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 94.28% 98.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.34% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.32% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.91% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.50% 96.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.99% 92.08%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.38% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.24% 86.33%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.77% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.88% 94.45%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.44% 96.90%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.28% 97.29%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139591592
LOTUS LTS0044330
wikiData Q105189848