3-[14-(2,3-Dihydroxyphenyl)tetradeca-8,11-dienyl]benzene-1,2-diol

Details

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Internal ID 1999d784-fbe4-4bca-a620-c7bc6e4c8e48
Taxonomy Benzenoids > Phenols > Benzenediols > Catechols
IUPAC Name 3-[14-(2,3-dihydroxyphenyl)tetradeca-8,11-dienyl]benzene-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H34O4/c27-23-19-13-17-21(25(23)29)15-11-9-7-5-3-1-2-4-6-8-10-12-16-22-18-14-20-24(28)26(22)30/h1,3,7,9,13-14,17-20,27-30H,2,4-6,8,10-12,15-16H2
InChI Key GRNMSFHYESOOJH-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H34O4
Molecular Weight 410.50 g/mol
Exact Mass 410.24570956 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 7.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-[14-(2,3-Dihydroxyphenyl)tetradeca-8,11-dienyl]benzene-1,2-diol

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 98.16% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.48% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.82% 93.99%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.01% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.82% 86.33%
CHEMBL5805 Q9NR97 Toll-like receptor 8 87.26% 96.25%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 87.05% 83.57%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.96% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 86.54% 94.73%
CHEMBL1937 Q92769 Histone deacetylase 2 86.02% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.92% 96.09%
CHEMBL3891 P07384 Calpain 1 83.67% 93.04%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 81.52% 98.11%

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 78384973
LOTUS LTS0025043
wikiData Q104167423