Feruloylpodospermic acid A
| Internal ID | 93a537f2-afda-4fde-9a2c-7e8721e9edd4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
| IUPAC Name | (1R,3R,4R,5R)-1,3-bis[3-(3,4-dihydroxyphenyl)propanoyloxy]-4-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)OC(=O)CCC3=CC(=C(C=C3)O)O)(C(=O)O)OC(=O)CCC4=CC(=C(C=C4)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@H]2O)OC(=O)CCC3=CC(=C(C=C3)O)O)(C(=O)O)OC(=O)CCC4=CC(=C(C=C4)O)O)O |
| InChI | InChI=1S/C35H36O15/c1-47-27-16-21(4-10-24(27)38)6-12-31(42)49-29-18-35(34(45)46,50-32(43)13-7-20-3-9-23(37)26(40)15-20)17-28(33(29)44)48-30(41)11-5-19-2-8-22(36)25(39)14-19/h2-4,6,8-10,12,14-16,28-29,33,36-40,44H,5,7,11,13,17-18H2,1H3,(H,45,46)/b12-6+/t28-,29-,33-,35-/m1/s1 |
| InChI Key | XDEMNTIHYAATHM-XFSWUUJNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H36O15 |
| Molecular Weight | 696.60 g/mol |
| Exact Mass | 696.20542044 g/mol |
| Topological Polar Surface Area (TPSA) | 247.00 Ų |
| XlogP | 3.40 |
| FERULOYLPODOSPERMIC ACID A |
| 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 | 99.63% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.96% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.95% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.08% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.76% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.50% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.35% | 95.50% |
| CHEMBL3194 | P02766 | Transthyretin | 91.05% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.66% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.33% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.87% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.56% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.26% | 95.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.20% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.16% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.15% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.09% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.92% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.00% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.38% | 90.24% |
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.
| Scorzonera divaricata |
| PubChem | 44424296 |
| LOTUS | LTS0171205 |
| wikiData | Q105199959 |