Sancti C
| Internal ID | 83a6178b-7ea7-45c9-9e8e-1e91116f06e8 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives |
| IUPAC Name | methyl (1R,9S,17R)-3,15-dihydroxy-17-[(4R)-5-hydroxy-6-methoxycarbonyl-2,4,7-trimethylchromen-4-yl]-5,9,13-trimethyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34O10/c1-14-9-18(35)24-19(10-14)43-34(6)30(26(24)25-20(44-34)11-15(2)22(28(25)36)31(38)40-7)33(5)13-17(4)42-21-12-16(3)23(32(39)41-8)29(37)27(21)33/h9-13,26,30,35-37H,1-8H3/t26-,30-,33+,34+/m1/s1 |
| InChI Key | NKCMTKBTAUBKBO-GQXWUIARSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H34O10 |
| Molecular Weight | 602.60 g/mol |
| Exact Mass | 602.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 7.40 |
| 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 | 97.76% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.28% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.27% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.33% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.02% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.63% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.67% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.40% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.80% | 92.94% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.44% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.29% | 85.14% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 84.52% | 95.70% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.10% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.50% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.47% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.13% | 82.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.12% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.72% | 94.42% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.19% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.14% | 98.95% |
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 | 146684251 |
| LOTUS | LTS0095903 |
| wikiData | Q105180457 |