13-Methoxy-2,15,17-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-5-ol
| Internal ID | 4106eff2-2590-4b7f-a99c-6cdb36a72fec |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines > Dibenzoxepines |
| IUPAC Name | 13-methoxy-2,15,17-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-5-ol |
| SMILES (Canonical) | COC1=C2C(=C3C(=C1)CCC4=C(O3)C=C(C=C4)O)OCO2 |
| SMILES (Isomeric) | COC1=C2C(=C3C(=C1)CCC4=C(O3)C=C(C=C4)O)OCO2 |
| InChI | InChI=1S/C16H14O5/c1-18-13-6-10-3-2-9-4-5-11(17)7-12(9)21-14(10)16-15(13)19-8-20-16/h4-7,17H,2-3,8H2,1H3 |
| InChI Key | AYNOREVHHDSGJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 13-Methoxy-2,15,17-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/13-methoxy-21517-trioxatetracyclo97003801418octadeca-11838461113-hexaen-5-ol.jpg "2D Structure of 13-Methoxy-2,15,17-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-5-ol")
| 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 | 97.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.23% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.94% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.79% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.57% | 93.99% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.90% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.64% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.86% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.39% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.76% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.32% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.92% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.60% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.78% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.44% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.18% | 82.38% |
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.
| Bulbophyllum kwangtungense |
| PubChem | 162909936 |
| LOTUS | LTS0207503 |
| wikiData | Q104921275 |