N-[(2S,3R,4S,5R,6S)-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3,5-dihydroxy-6-methyloxan-4-yl]-N-methylacetamide
| Internal ID | 4b0cb89c-4c68-4200-a4bf-26e0e61280a6 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | N-[(2S,3R,4S,5R,6S)-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3,5-dihydroxy-6-methyloxan-4-yl]-N-methylacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H31NO9/c1-7-15-10-18-22(20(11-15)37-5)17-12-21(38-6)24-19(33)9-8-16(23(24)28(17)40-30(18)36)29-27(35)25(31(4)14(3)32)26(34)13(2)39-29/h7-13,25-27,29,33-35H,1H2,2-6H3/t13-,25-,26-,27+,29-/m0/s1 |
| InChI Key | LFLUKKBCPUVQAB-LAVFYLQISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H31NO9 |
| Molecular Weight | 549.60 g/mol |
| Exact Mass | 549.19988157 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of N-[(2S,3R,4S,5R,6S)-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3,5-dihydroxy-6-methyloxan-4-yl]-N-methylacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/ce8ac880-8562-11ee-aea7-a78aeaee10d2.jpg "2D Structure of N-[(2S,3R,4S,5R,6S)-2-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxonaphtho[1,2-c]isochromen-4-yl)-3,5-dihydroxy-6-methyloxan-4-yl]-N-methylacetamide")
| 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% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.69% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.88% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.35% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.48% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.39% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.09% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.85% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.30% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.15% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.72% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.30% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.26% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.01% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.84% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
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 | 162971386 |
| LOTUS | LTS0162918 |
| wikiData | Q105151073 |