Phenalinolactone A
| Internal ID | 981a438f-0c9c-4fae-ab3d-0892a1fd3eb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [(2R,4S,4aS,4bR,8R,8aR,10aS)-2-acetyloxy-8-(2,4-dihydroxy-5-oxo-2H-furan-3-yl)-4-hydroxy-1-[[(2R,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxymethyl]-4a,7,8a-trimethyl-3,4,4b,5,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl 5-methyl-1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H53NO12/c1-19-8-12-25-36(5,31(19)30-32(42)35(45)51-34(30)44)15-14-26-37(25,6)27(41)16-28(50-22(4)40)38(26,18-48-33(43)23-10-9-20(2)39-23)17-47-29-13-11-24(46-7)21(3)49-29/h8-10,21,24-29,31,34,39,41-42,44H,11-18H2,1-7H3/t21-,24+,25+,26-,27-,28+,29+,31-,34?,36+,37-,38?/m0/s1 |
| InChI Key | LULQRLKBANNSOX-AFCHNXSNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C38H53NO12 |
| Molecular Weight | 715.80 g/mol |
| Exact Mass | 715.35677613 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.58% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.27% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.21% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.83% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.80% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.53% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.44% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 91.87% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.92% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.85% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.79% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.40% | 97.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.69% | 98.59% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.05% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.97% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.91% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.55% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.19% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.08% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 139291952 |
| LOTUS | LTS0208692 |
| wikiData | Q77570838 |