PlantaeDB Logo
Login Sign-up

Talarodride

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 4f2e64ff-2445-4dcf-80bc-efbbe3745eb3
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives
IUPAC Name 3-[(2S)-1-[4-[(1E,6Z)-8-hydroxyocta-1,6-dienyl]-2,5-dioxofuran-3-yl]nonan-2-yl]-4-methylfuran-2,5-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H34O7/c1-3-4-5-8-11-14-19(22-18(2)23(28)32-26(22)31)17-21-20(24(29)33-25(21)30)15-12-9-6-7-10-13-16-27/h10,12-13,15,19,27H,3-9,11,14,16-17H2,1-2H3/b13-10-,15-12+/t19-/m0/s1
InChI Key STOJXMXLBFQITN-FUWTZERASA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C26H34O7
Molecular Weight 458.50 g/mol
Exact Mass 458.23045342 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 5.60

Synonyms

Top
3-((2S)-1-(4-((1E,6Z)-8-hydroxyocta-1,6-dienyl)-2,5-dioxofuran-3-yl)nonan-2-yl)-4-methylfuran-2,5-dione
3-[(2S)-1-[4-[(1E,6Z)-8-hydroxyocta-1,6-dienyl]-2,5-dioxofuran-3-yl]nonan-2-yl]-4-methylfuran-2,5-dione
RefChem:187244
CHEMBL4450222
SCHEMBL30266432
CHEBI:225801
3-[(2S)-1-[4-[(1E,6Z)-8-hydroxyocta-1,6-dienyl]-2,5-dioxouran-3-yl]nonan-2-yl]-4-methyluran-2,5-dione

2D Structure

Top
2D Structure of Talarodride

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 98.09% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.14% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.31% 85.94%
CHEMBL3401 O75469 Pregnane X receptor 93.10% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.93% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.58% 93.56%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.46% 95.56%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.22% 92.08%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.46% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.58% 96.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.71% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.39% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.03% 93.99%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.41% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.12% 89.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.02% 97.29%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.74% 96.47%
CHEMBL1907 P15144 Aminopeptidase N 83.64% 93.31%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.52% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.76% 91.81%
CHEMBL1781 P11387 DNA topoisomerase I 80.11% 97.00%

Plants that contains it

Top
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

Top
PubChem 145721307
LOTUS LTS0045024
wikiData Q105260476