8-Methoxy-6-oxa-15,20,24,27-tetrazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2(33),3,5(32),7,9,11(31),12-heptaene-14,26-dione
| Internal ID | 6ea42135-6d0c-4b2a-b633-d5386197908c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 8-methoxy-6-oxa-15,20,24,27-tetrazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2(33),3,5(32),7,9,11(31),12-heptaene-14,26-dione |
| SMILES (Canonical) | COC1=C2C=C(C=C1)C=CC(=O)N3CCCCNCCCNC(CC(=O)NCCC3)C4=CC=C(O2)C=C4 |
| SMILES (Isomeric) | COC1=C2C=C(C=C1)C=CC(=O)N3CCCCNCCCNC(CC(=O)NCCC3)C4=CC=C(O2)C=C4 |
| InChI | InChI=1S/C29H38N4O4/c1-36-26-12-6-22-7-13-29(35)33-18-3-2-14-30-15-4-16-31-25(21-28(34)32-17-5-19-33)23-8-10-24(11-9-23)37-27(26)20-22/h6-13,20,25,30-31H,2-5,14-19,21H2,1H3,(H,32,34) |
| InChI Key | FWYQHXRXYOIONL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38N4O4 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.28930571 g/mol |
| Topological Polar Surface Area (TPSA) | 91.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 8-Methoxy-6-oxa-15,20,24,27-tetrazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2(33),3,5(32),7,9,11(31),12-heptaene-14,26-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7ef10c80-8546-11ee-91ea-057540be85de.jpg "2D Structure of 8-Methoxy-6-oxa-15,20,24,27-tetrazatetracyclo[13.9.6.22,5.17,11]tritriaconta-2(33),3,5(32),7,9,11(31),12-heptaene-14,26-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.97% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.27% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.95% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.35% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.56% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.18% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.52% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.29% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.63% | 100.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.21% | 96.39% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.96% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.52% | 89.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.87% | 95.51% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.77% | 93.99% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.14% | 86.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.08% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.03% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.71% | 90.24% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.84% | 82.38% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.40% | 95.83% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.26% | 97.14% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.20% | 90.95% |
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 | 162948937 |
| LOTUS | LTS0069844 |
| wikiData | Q105003725 |