(12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-ol
| Internal ID | 1b36680d-7e17-4f8a-a272-a1b09fef12f1 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,para-diphenylether diarylheptanoids |
| IUPAC Name | (12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-ol |
| SMILES (Canonical) | COC1=C2C=C(CCCCC(CCC3=CC=C(O2)C=C3)O)C=C1 |
| SMILES (Isomeric) | COC1=C2C=C(CCCC[C@H](CCC3=CC=C(O2)C=C3)O)C=C1 |
| InChI | InChI=1S/C20H24O3/c1-22-19-13-9-16-4-2-3-5-17(21)10-6-15-7-11-18(12-8-15)23-20(19)14-16/h7-9,11-14,17,21H,2-6,10H2,1H3/t17-/m1/s1 |
| InChI Key | QLKCMOKBCQLACF-QGZVFWFLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/12r-4-methoxy-2-oxatricyclo1322137icosa-117357201518-hexaen-12-ol.jpg "2D Structure of (12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.45% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.06% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.99% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.36% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.15% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.25% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.23% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.74% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.26% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.42% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 45377505 |
| LOTUS | LTS0084394 |
| wikiData | Q105223638 |