4,5,6,9,10,11-Hexamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaene
| Internal ID | 8b98bd8e-af40-45cb-b74d-0298a772b6fa |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 4,5,6,9,10,11-hexamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O7/c1-12-14-8-13-9-16(25-2)21(27-4)23(29-6)18(13)19-15(20(12)31-11-14)10-17(26-3)22(28-5)24(19)30-7/h9-10,12,14,20H,8,11H2,1-7H3 |
| InChI Key | KSDHHXPUZXRDOU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.50 g/mol |
| Exact Mass | 430.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 4,5,6,9,10,11-Hexamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/f3b93590-8583-11ee-86f1-bf54118d7269.jpg "2D Structure of 4,5,6,9,10,11-Hexamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaene")
| 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 | 96.55% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.00% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.34% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.76% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.65% | 97.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.71% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.73% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.34% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.17% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.13% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.87% | 98.75% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.20% | 96.76% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.51% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.38% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.62% | 97.25% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.24% | 96.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.08% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.45% | 91.00% |
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.
To see more specific details click the taxa you are interested in.
| Magnolia fraseri |
| PubChem | 163083689 |
| LOTUS | LTS0044815 |
| wikiData | Q105145356 |