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Landomycin B

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

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Internal ID e7a4861f-4aba-4c9b-a6da-58d5da029f54
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name (6R)-8-[(2S,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1,6,11-trihydroxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione
SMILES (Canonical) CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C(CC7=C6C(=CC(=C7)C)O)O)C)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)O)O)O
SMILES (Isomeric) C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3[C@H](O[C@H](C[C@H]3O)OC4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)[C@@H](CC7=C6C(=CC(=C7)C)O)O)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O)O
InChI InChI=1S/C49H64O20/c1-18-11-24-13-27(52)41-43(39(24)26(51)12-18)47(59)40-25(50)7-8-32(42(40)46(41)58)66-36-16-30(55)49(23(6)64-36)69-38-17-33(45(57)21(4)62-38)67-34-10-9-31(19(2)60-34)65-35-15-29(54)48(22(5)63-35)68-37-14-28(53)44(56)20(3)61-37/h7-8,11-12,19-23,27-31,33-38,44-45,48-57H,9-10,13-17H2,1-6H3/t19-,20+,21+,22+,23+,27+,28+,29+,30+,31-,33+,34-,35-,36-,37-,38-,44+,45+,48+,49+/m0/s1
InChI Key PUFYJURQQMRQDS-RPLDIEPASA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C49H64O20
Molecular Weight 973.00 g/mol
Exact Mass 972.39909443 g/mol
Topological Polar Surface Area (TPSA) 288.00 Ų
XlogP 2.30

Synonyms

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CHEBI:70062
CHEMBL1668768
C18823
Q27138401

2D Structure

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2D Structure of Landomycin B

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 99.52% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.21% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.62% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.31% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 92.63% 95.89%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 92.46% 96.38%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 92.42% 90.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.81% 96.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.65% 94.00%
CHEMBL2581 P07339 Cathepsin D 91.57% 98.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.02% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.95% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 90.48% 94.73%
CHEMBL4208 P20618 Proteasome component C5 89.63% 90.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.41% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.64% 86.33%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.12% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.14% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.76% 96.09%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 84.66% 97.33%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.86% 95.89%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 82.80% 91.03%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 81.20% 83.00%

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 53297405
LOTUS LTS0086115
wikiData Q27138401