(9S,10S)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-one
| Internal ID | 1d192313-713c-4745-9e38-5b89c18b5087 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (9S,10S)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-one |
| SMILES (Canonical) | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(=O)C1C)O)OC)OC)OC)OCO3 |
| SMILES (Isomeric) | C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(=O)[C@H]1C)O)OC)OC)OC)OCO3 |
| InChI | InChI=1S/C22H24O7/c1-10-6-12-7-15-20(29-9-28-15)21(26-4)16(12)17-13(18(24)11(10)2)8-14(23)19(25-3)22(17)27-5/h7-8,10-11,23H,6,9H2,1-5H3/t10-,11-/m0/s1 |
| InChI Key | DFSRAKRRKOYPCQ-QWRGUYRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (9S,10S)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/01e7b760-8459-11ee-8001-25a50d9b875a.jpg "2D Structure of (9S,10S)-5-hydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-one")
| 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 | 99.13% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.38% | 96.76% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.33% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.23% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.94% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.54% | 95.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.51% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.89% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.61% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.54% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.35% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.00% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.72% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.66% | 92.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.59% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.05% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.74% | 91.49% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.26% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.80% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.55% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.20% | 97.09% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.01% | 96.86% |
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 japonica |
| PubChem | 101769028 |
| LOTUS | LTS0214490 |
| wikiData | Q104978284 |