16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
| Internal ID | 64e30a97-c567-4387-9afe-38132ece7f27 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | 16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol |
| SMILES (Canonical) | COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)O |
| SMILES (Isomeric) | COC1=C2C=C(CCCCC(CCC3=CC2=C(C=C3)O)O)C(=C1OC)O |
| InChI | InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3 |
| InChI Key | SBGBAZQAEOWGFT-UHFFFAOYSA-N |
| Popularity | 18 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.10 |
| 16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol |
| Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, (R)-; (9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol |
| SCHEMBL21693006 |
| CHEBI:182077 |
| MFCD00210533 |
| AKOS032948796 |
| (+/-)-Myricanol, (HPLC), 95% |
| NCGC00380288-01 |
| A905456 |
| (9R)-16,17-dimethoxytricyclo[12.3.1.1^{2,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol](https://plantaedb.com/storage/docs/compounds/2023/11/1617-dimethoxytricyclo1231126nonadeca-11724619141815-hexaene-3915-triol.jpg "2D Structure of 16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol")
| 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 | 99.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.83% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.58% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.38% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.31% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.79% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.54% | 91.79% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.85% | 88.48% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.57% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.61% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.14% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.13% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.64% | 99.15% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.69% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.07% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.74% | 89.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.53% | 91.00% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.34% | 93.33% |
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.
| Myrica cerifera |
| Nageia nagi |
| PubChem | 5319978 |
| LOTUS | LTS0164064 |
| wikiData | Q104396924 |