Landomycin Y

Details

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Internal ID 717e0653-24e3-414e-80ab-025506ca906b
Taxonomy Phenylpropanoids and polyketides > Angucyclines
IUPAC Name 1-hydroxy-8-[4-hydroxy-5-[5-hydroxy-4-[5-[5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C55H72O19/c1-24-19-31-11-12-33-50(48(31)35(57)20-24)54(62)32-9-8-10-39(49(32)53(33)61)71-45-21-36(58)55(30(7)68-45)74-47-23-41(52(60)29(6)67-47)73-44-18-14-37(26(3)65-44)69-43-17-15-38(27(4)64-43)70-46-22-40(51(59)28(5)66-46)72-42-16-13-34(56)25(2)63-42/h8-12,19-20,25-30,34,36-38,40-47,51-52,55-60H,13-18,21-23H2,1-7H3
InChI Key WTBIZHWCUDGCBU-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C55H72O19
Molecular Weight 1037.10 g/mol
Exact Mass 1036.46678006 g/mol
Topological Polar Surface Area (TPSA) 246.00 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Landomycin Y

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
CHEMBL1951 P21397 Monoamine oxidase A 99.61% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.63% 91.11%
CHEMBL2581 P07339 Cathepsin D 98.39% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.07% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.83% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 95.06% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.42% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.59% 97.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.23% 96.95%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 90.37% 93.03%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 90.35% 96.21%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.90% 86.33%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 88.72% 83.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 88.29% 96.67%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 87.86% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.75% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.48% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.06% 90.71%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 86.77% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.35% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.07% 96.00%
CHEMBL4302 P08183 P-glycoprotein 1 84.66% 92.98%
CHEMBL3401 O75469 Pregnane X receptor 84.20% 94.73%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.60% 97.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.50% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.00% 92.94%
CHEMBL4208 P20618 Proteasome component C5 82.72% 90.00%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 82.15% 97.33%
CHEMBL4530 P00488 Coagulation factor XIII 81.56% 96.00%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 81.41% 96.39%
CHEMBL2056 P21728 Dopamine D1 receptor 80.09% 91.00%
CHEMBL226 P30542 Adenosine A1 receptor 80.03% 95.93%

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 75600528
LOTUS LTS0073069
wikiData Q104200607