Tolyporphin E

Details

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Internal ID f8d3878f-e94e-4143-ae6b-e389654e22a1
Taxonomy Organoheterocyclic compounds > Tetrapyrroles and derivatives
IUPAC Name [2-(12-acetyloxy-2,8,12,17-tetramethyl-3,13-dioxo-22,24-dihydroporphyrin-2-yl)-5-hydroxy-6-methyloxan-3-yl] acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H36N4O8/c1-15-9-21-11-28-33(6,32-27(45-18(4)39)14-26(41)17(3)44-32)30(42)24(37-28)10-20-8-16(2)23(35-20)13-29-34(7,46-19(5)40)31(43)25(38-29)12-22(15)36-21/h8-13,17,26-27,32,35-36,41H,14H2,1-7H3
InChI Key ORIYDESLCYSDRU-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C34H36N4O8
Molecular Weight 628.70 g/mol
Exact Mass 628.25331412 g/mol
Topological Polar Surface Area (TPSA) 174.00 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Tolyporphin E

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 99.03% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.62% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.52% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.40% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.77% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.64% 92.94%
CHEMBL2581 P07339 Cathepsin D 92.15% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 91.26% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.73% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.44% 94.00%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 86.58% 96.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.54% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.90% 97.09%
CHEMBL1937 Q92769 Histone deacetylase 2 85.77% 94.75%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 84.96% 95.64%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.05% 93.04%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.98% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 83.42% 94.73%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 83.04% 93.24%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.70% 93.40%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.13% 96.00%
CHEMBL4530 P00488 Coagulation factor XIII 82.00% 96.00%
CHEMBL4829 O00763 Acetyl-CoA carboxylase 2 81.02% 98.00%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 80.79% 96.39%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.62% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.42% 96.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.01% 93.03%

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 139587192
LOTUS LTS0085468
wikiData Q77560096