Lythramine
| Internal ID | ea9cb9c7-6930-4865-96ef-401b6707b796 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | [(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(25),2,4,6(28),22(26),23-hexaen-19-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H37NO5/c1-19(31)35-25-11-7-21-9-13-29(33-2)27(15-21)26-14-20(8-12-28(26)32)6-10-24-16-22-4-3-5-23(17-25)30(22)18-34-24/h8-9,12-15,22-25,32H,3-7,10-11,16-18H2,1-2H3/t22-,23-,24+,25+/m1/s1 |
| InChI Key | YODZWLPSGSZPHZ-NGSHPTGOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H37NO5 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 5.60 |
| 32420-56-7 |
| [(9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.12,6.19,13.012,17]octacosa-1(25),2,4,6(28),22(26),23-hexaen-19-yl] acetate |
| (9S,13R,17R,19S)-3-hydroxy-25-methoxy-10-oxa-12-azapentacyclo[20.3.1.1(2,6).1(9,13).0(12,17)]octacosa-1(26),2(28),3,5,22,24-hexaen-19-yl acetate |
| CHEBI:6610 |
| DTXSID40331981 |
| Q27107267 |
| 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 | 98.07% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.18% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.69% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.29% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.38% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.15% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.18% | 89.00% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 86.68% | 94.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.05% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.82% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.33% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.70% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.76% | 90.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.50% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.01% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.50% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.49% | 89.62% |
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 | 442864 |
| NPASS | NPC115454 |
| LOTUS | LTS0151873 |
| wikiData | Q27107267 |