5-Methoxy-6-oxa-benzo[def]chrysen-1-one
| Internal ID | cc861cb1-244a-4128-8b54-48b331291919 |
| 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),2,4,6,9,11,13,16(20),17-nonaen-15-one |
| SMILES (Canonical) | COC1=C2C3=C(C=CC4=C3C(=C1)C=CC4=O)C5=CC=CC=C5O2 |
| SMILES (Isomeric) | COC1=C2C3=C(C=CC4=C3C(=C1)C=CC4=O)C5=CC=CC=C5O2 |
| InChI | InChI=1S/C20H12O3/c1-22-17-10-11-6-9-15(21)14-8-7-13-12-4-2-3-5-16(12)23-20(17)19(13)18(11)14/h2-10H,1H3 |
| InChI Key | QSJJNMPYBULILS-UHFFFAOYSA-N |
| Popularity | 2 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 |
| CHEMBL3589052 |
| 5-methoxy-1H-naphtho[2,1,8-mna]xanthen-1-one |
| 1H-naphtho[2,1,8-mna]xanthen-1-one, 5-methoxy- |
| InChI=1/C20H12O3/c1-22-17-10-11-6-9-15(21)14-8-7-13-12-4-2-3-5-16(12)23-20(17)19(13)18(11)14/h2-10H,1H |
![2D Structure of 5-Methoxy-6-oxa-benzo[def]chrysen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-6-oxa-benzodefchrysen-1-one.jpg "2D Structure of 5-Methoxy-6-oxa-benzo[def]chrysen-1-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 | 98.46% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.93% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.64% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.48% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.45% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.24% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.20% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.79% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.00% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.48% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.28% | 94.45% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.40% | 94.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.22% | 96.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.76% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.32% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.91% | 93.99% |
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.
| Musa acuminata |
| Wachendorfia thyrsiflora |
| PubChem | 636791 |
| LOTUS | LTS0179825 |
| wikiData | Q105227051 |