Calcaride A
| Internal ID | 0271d471-5796-4a05-a152-53938eff9076 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | (4R,8R,18R,22R,26R)-14,30,32-trihydroxy-12-methoxy-4,8,18,22,26-pentamethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H40O14/c1-16-7-21-12-23(34)14-25(35)30(21)32(40)46-19(4)10-28(38)44-17(2)8-22-13-24(42-6)15-26(36)31(22)33(41)47-20(5)11-29(39)45-18(3)9-27(37)43-16/h12-20,34-36H,7-11H2,1-6H3/t16-,17-,18-,19-,20-/m1/s1 |
| InChI Key | VGERWXRJUJRYBA-LASHMREHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H40O14 |
| Molecular Weight | 660.70 g/mol |
| Exact Mass | 660.24180595 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 97.96% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.41% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.61% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.74% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.40% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.21% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.57% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.87% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.86% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.79% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.06% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.24% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.14% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.65% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.58% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.57% | 91.07% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.03% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.32% | 93.99% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.82% | 80.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.36% | 90.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139587272 |
| LOTUS | LTS0101147 |
| wikiData | Q77561762 |