4,5,15,16-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,11,14-triol
| Internal ID | 2be84000-819c-4164-ba4a-5e56c70f3abf |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 4,5,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,11,14-triol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1C)O)O)OC)OC)O)OC)OC |
| SMILES (Isomeric) | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1C)O)O)OC)OC)O)OC)OC |
| InChI | InChI=1S/C22H28O7/c1-10-7-12-8-15(26-3)21(28-5)19(25)16(12)17-13(18(24)11(10)2)9-14(23)20(27-4)22(17)29-6/h8-11,18,23-25H,7H2,1-6H3 |
| InChI Key | MRKYWHWCKKOXEB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 4,5,15,16-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,11,14-triol](https://plantaedb.com/storage/docs/compounds/2023/11/52fd5ad0-8456-11ee-83d2-0d15f9fae374.jpg "2D Structure of 4,5,15,16-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,11,14-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 | 97.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.17% | 95.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.70% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.28% | 85.14% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 91.16% | 89.32% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.87% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.13% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.66% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.74% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.55% | 91.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.20% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.43% | 96.86% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.04% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.79% | 92.68% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.46% | 94.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.74% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.48% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.35% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
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.
| Kadsura angustifolia |
| Kadsura japonica |
| PubChem | 14078138 |
| LOTUS | LTS0196183 |
| wikiData | Q105170660 |