Talaromycin C

Details

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Internal ID f422a3ba-8fd1-4a05-a1aa-b26fbcd9c3d2
Taxonomy Benzenoids > Benzene and substituted derivatives > Diphenylethers
IUPAC Name methyl 3-(1-acetyloxy-3-methylbutyl)-6-[2-(dimethoxymethyl)-6-hydroxy-4-methylphenoxy]-2-methoxybenzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H34O9/c1-14(2)11-21(34-16(4)27)17-9-10-20(22(24(17)30-5)25(29)31-6)35-23-18(26(32-7)33-8)12-15(3)13-19(23)28/h9-10,12-14,21,26,28H,11H2,1-8H3
InChI Key PXQCIAJEPYUGQU-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H34O9
Molecular Weight 490.50 g/mol
Exact Mass 490.22028266 g/mol
Topological Polar Surface Area (TPSA) 110.00 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Talaromycin C

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.14% 85.14%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 96.02% 97.21%
CHEMBL2581 P07339 Cathepsin D 95.47% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 93.43% 96.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.30% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.84% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 91.81% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.13% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.13% 96.00%
CHEMBL1255126 O15151 Protein Mdm4 88.12% 90.20%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.09% 99.15%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 87.26% 90.93%
CHEMBL2535 P11166 Glucose transporter 86.01% 98.75%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.62% 93.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.71% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.88% 90.71%
CHEMBL340 P08684 Cytochrome P450 3A4 81.02% 91.19%

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 139584965
LOTUS LTS0213817
wikiData Q77379201