Olivomycin A

Details

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Internal ID ac3edf1a-c0d8-48f2-a8b6-50fffd2c8471
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name [(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(53(27(7)76-40)78-29(9)60)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1
InChI Key OCOLTXUAPMAMPP-AJVJTBPOSA-N
Popularity 16 references in papers

Physical and Chemical Properties

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Molecular Formula C58H84O26
Molecular Weight 1197.30 g/mol
Exact Mass 1196.52508278 g/mol
Topological Polar Surface Area (TPSA) 359.00 Ų
XlogP 3.00

Synonyms

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Olivomycin I
6988-58-5
CHEBI:52511
06720J8X69
OLIVOMYCIN A [MI]
SCHEMBL606942
CHEMBL576383
DTXSID101024454
UNII-06720J8X69
Olivomycin D, 3(B)-O-(2,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-alpha-L-arabino-hexopyranosyl)-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Olivomycin A

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 99.88% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 99.82% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.74% 96.09%
CHEMBL2581 P07339 Cathepsin D 98.17% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 98.12% 91.49%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 97.50% 92.68%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.89% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.07% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.50% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.88% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.55% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.27% 94.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 91.75% 85.11%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 90.94% 95.64%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 90.89% 95.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.62% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.29% 97.09%
CHEMBL2413 P32246 C-C chemokine receptor type 1 90.22% 89.50%
CHEMBL340 P08684 Cytochrome P450 3A4 90.05% 91.19%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 90.02% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 89.14% 91.07%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 88.74% 91.03%
CHEMBL204 P00734 Thrombin 88.40% 96.01%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.31% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.05% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.43% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.60% 96.00%
CHEMBL2535 P11166 Glucose transporter 83.21% 98.75%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.62% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.16% 99.17%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 81.86% 83.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.85% 90.71%
CHEMBL4015 P41597 C-C chemokine receptor type 2 81.53% 98.57%
CHEMBL221 P23219 Cyclooxygenase-1 81.30% 90.17%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.52% 97.21%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.46% 97.14%
CHEMBL4208 P20618 Proteasome component C5 80.17% 90.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.12% 100.00%

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 122806
LOTUS LTS0213922
wikiData Q27123480