Cystoketal from Cystoseira balearica
| Internal ID | 08473e3b-14bf-454a-a6e3-b9ff2ac4d0d3 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 2-[(E)-4-[(1S,4aR,7aR)-4a,5',5',7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,2'-furan]-3-yl]-3-methylbut-2-enyl]-4-methoxy-6-methylphenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38O4/c1-19(9-10-21-17-22(30-7)16-20(2)24(21)29)15-23-18-26(5)11-8-12-27(26,6)28(31-23)14-13-25(3,4)32-28/h9,13-14,16-18,29H,8,10-12,15H2,1-7H3/b19-9+/t26-,27-,28-/m1/s1 |
| InChI Key | QLZXRBQCYQJZLU-JBHPBMBOSA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C28H38O4 |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 7.10 |
| Cystoketal from Cystoseira balearica |
| NSC605982 |
| NSC-605982 |
| 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 | 99.61% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.09% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.77% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.35% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.25% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.66% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.64% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.61% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.17% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.56% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.53% | 92.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.47% | 85.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.45% | 91.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.43% | 91.07% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.21% | 93.18% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.19% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.86% | 97.09% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.13% | 95.55% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.05% | 92.94% |
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 | 13831002 |
| LOTUS | LTS0126657 |
| wikiData | Q104393886 |