dTDP-L-olivose

Details

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Internal ID 1dfae88f-7cee-4d67-a26d-aabf5900cfbc
Taxonomy Nucleosides, nucleotides, and analogues > Pyrimidine nucleotides > Pyrimidine nucleotide sugars
IUPAC Name [(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14-/m0/s1
InChI Key GLUZBIYLBPDBPE-LITXJTQSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H26N2O14P2
Molecular Weight 532.33 g/mol
Exact Mass 532.08592750 g/mol
Topological Polar Surface Area (TPSA) 231.00 Ų
XlogP -3.80

Synonyms

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C11920
CHEBI:29733
Q27110248
[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
[(2R,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

2D Structure

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2D Structure of dTDP-L-olivose

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.69% 96.09%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 92.58% 80.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 92.30% 86.92%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.58% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.15% 89.00%
CHEMBL2581 P07339 Cathepsin D 88.39% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.24% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.18% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 88.10% 94.73%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 86.98% 94.01%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 86.33% 93.04%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.14% 96.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.86% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.55% 86.33%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.51% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.48% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.85% 94.45%
CHEMBL5255 O00206 Toll-like receptor 4 82.70% 92.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.54% 94.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.92% 95.89%

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 24892773
LOTUS LTS0088079
wikiData Q27110248