5-Methoxy-6-oxa-benzo[def]chrysen-3-one
| Internal ID | f96cbaf3-a3a3-45e4-a722-6dfa7f0e0487 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes > Benzoxanthenes |
| IUPAC Name | 10-methoxy-8-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,14,16(20),17-nonaen-13-one |
| SMILES (Canonical) | COC1=C2C3=C(C=CC4=C3C(=C1)C(=O)C=C4)C5=CC=CC=C5O2 |
| SMILES (Isomeric) | COC1=C2C3=C(C=CC4=C3C(=C1)C(=O)C=C4)C5=CC=CC=C5O2 |
| InChI | InChI=1S/C20H12O3/c1-22-17-10-14-15(21)9-7-11-6-8-13-12-4-2-3-5-16(12)23-20(17)19(13)18(11)14/h2-10H,1H3 |
| InChI Key | NMULBEGPQLUQPJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H12O3 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.40 |
| 5-methoxy-3H-naphtho[2,1,8-mna]xanthen-3-one |
| 3H-naphtho[2,1,8-mna]xanthen-3-one, 5-methoxy- |
| InChI=1/C20H12O3/c1-22-17-10-14-15(21)9-7-11-6-8-13-12-4-2-3-5-16(12)23-20(17)19(13)18(11)14/h2-10H,1H |
![2D Structure of 5-Methoxy-6-oxa-benzo[def]chrysen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-6-oxa-benzodefchrysen-3-one.jpg "2D Structure of 5-Methoxy-6-oxa-benzo[def]chrysen-3-one")
| 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 | 98.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.93% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.99% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.43% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.35% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.32% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.31% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.66% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.65% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.29% | 94.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.73% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.34% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.58% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.42% | 95.50% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.61% | 93.65% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.22% | 93.31% |
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.
| Wachendorfia thyrsiflora |
| PubChem | 636441 |
| LOTUS | LTS0033150 |
| wikiData | Q105181971 |