Columbin glucoside

Details

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Internal ID 18fd6033-56fb-417a-9ae8-4212d6c479b0
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name 5-(furan-3-yl)-3,11-dimethyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
SMILES (Canonical) CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)OC5C(C(C(C(O5)CO)O)O)O)C)C6=COC=C6
SMILES (Isomeric) CC12CCC3C(=O)OC(CC3(C1C4C=CC2(C(=O)O4)OC5C(C(C(C(O5)CO)O)O)O)C)C6=COC=C6
InChI InChI=1S/C26H32O11/c1-24-9-15(12-5-8-33-11-12)34-21(31)13(24)3-6-25(2)20(24)14-4-7-26(25,23(32)36-14)37-22-19(30)18(29)17(28)16(10-27)35-22/h4-5,7-8,11,13-20,22,27-30H,3,6,9-10H2,1-2H3
InChI Key ZHUNNEPKAYTEID-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C26H32O11
Molecular Weight 520.50 g/mol
Exact Mass 520.19446183 g/mol
Topological Polar Surface Area (TPSA) 165.00 Ų
XlogP 0.60

Synonyms

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Palmatoside C
105597-94-2
1,4-Etheno-3H,7H-benzo(1,2-c:3,4-c')dipyran-3,7-dione, 9-(3-furanyl)-4-(beta-D-glucopyranosyloxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4a,10a-dimethyl-, (1R-(1alpha,4beta,4aalpha,6abeta,9beta,10abeta,10balpha))-
Tinoside
Palmatoside D
Isocolumbin glucoside
Compound NP-005198
DTXSID20909622
AKOS040739736
1,4-Etheno-3H,7H-benzo(1,2-c:3,4-c')dipyran-3,7-dione, 9-(3-furanyl)-4-(beta-D-glucopyranosyloxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4a,10a-dimethyl-, (1R-(1alpha,4beta,4aalpha,6aalpha,9beta,10abeta,10balpha))-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Columbin glucoside

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 98.38% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.06% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.65% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.90% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 91.35% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 91.10% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.96% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 90.41% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.97% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.82% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.07% 85.14%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 87.59% 95.83%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.21% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.29% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.65% 89.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.03% 92.62%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 81.93% 86.92%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 80.95% 95.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.11% 94.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Jateorhiza palmata
Penianthus zenkeri
Tinospora cordifolia
Tinospora crispa
Tinospora sagittata
Tinospora sagittata var. yunnanensis

Cross-Links

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PubChem 184514
LOTUS LTS0252526
wikiData Q82879267