Lycopic acid B
| Internal ID | e98354e8-6e1c-48e2-bdc0-f013cb0c2dd7 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | (2R)-2-[(E)-3-[(2R,3R)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H30O16/c37-21-6-1-18(11-24(21)40)14-29(34(44)45)49-31(43)10-4-17-3-9-27-28(13-17)51-33(32(50-27)20-5-8-23(39)26(42)16-20)36(48)52-30(35(46)47)15-19-2-7-22(38)25(41)12-19/h1-13,16,29-30,32-33,37-42H,14-15H2,(H,44,45)(H,46,47)/b10-4+/t29-,30-,32-,33-/m1/s1 |
| InChI Key | MJKIULPREOUSIK-PNQPAMRJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H30O16 |
| Molecular Weight | 718.60 g/mol |
| Exact Mass | 718.15338487 g/mol |
| Topological Polar Surface Area (TPSA) | 267.00 Ų |
| XlogP | 4.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.94% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.34% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.73% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.43% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.23% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.69% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 89.38% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.21% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.17% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.92% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.79% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.24% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.03% | 99.15% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.15% | 97.93% |
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.
| Lycopus asper |
| PubChem | 45258668 |
| LOTUS | LTS0070709 |
| wikiData | Q105165469 |