(1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione
| Internal ID | ebbf5d20-d833-4a79-afa2-a3b414cc66da |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione |
| SMILES (Canonical) | CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=C4)C(=O)C=C(C5=O)OC |
| SMILES (Isomeric) | C[C@@]12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=C4)C(=O)C=C(C5=O)OC |
| InChI | InChI=1S/C21H16O5/c1-21-5-3-4-10-9-26-20(17(10)21)19(24)13-6-11-12(7-14(13)21)18(23)16(25-2)8-15(11)22/h6-9H,3-5H2,1-2H3/t21-/m0/s1 |
| InChI Key | RXKXFLSPTKPVON-NRFANRHFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H16O5 |
| Molecular Weight | 348.30 g/mol |
| Exact Mass | 348.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 73.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/a4493e80-86ec-11ee-8cc8-8784a297cc16.jpg "2D Structure of (1S)-6-methoxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.86% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.89% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.46% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.41% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.45% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.67% | 91.07% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.61% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.46% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.17% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.98% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.86% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.72% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.68% | 94.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.42% | 97.14% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.08% | 96.67% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.74% | 97.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.10% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.90% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.66% | 100.00% |
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 | 11791995 |
| LOTUS | LTS0134149 |
| wikiData | Q105247110 |