Benzoyl oxokadsurane
| Internal ID | 91c1c410-3a31-4dc3-934d-3f18a06c931d |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(12S,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] benzoate |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=O)C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C6=CC=CC=C6)OC)OC |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=O)C23COC4=C3C(=CC5=C4OCO5)[C@H]([C@H]1C)OC(=O)C6=CC=CC=C6)OC)OC |
| InChI | InChI=1S/C29H28O8/c1-15-10-18-11-20(32-3)25(33-4)27(30)29(18)13-34-26-22(29)19(12-21-24(26)36-14-35-21)23(16(15)2)37-28(31)17-8-6-5-7-9-17/h5-9,11-12,15-16,23H,10,13-14H2,1-4H3/t15-,16-,23-,29?/m0/s1 |
| InChI Key | RMKQIKRRIGHWHR-UQDNXWCZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H28O8 |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 4.50 |
| (dimethoxy-dimethyl-oxo-[?]yl) benzoate |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.57% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.09% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.24% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.10% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.84% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.36% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.52% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.89% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.87% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.12% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.43% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.22% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.21% | 91.49% |
| CHEMBL5028 | O14672 | ADAM10 | 81.34% | 97.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.30% | 90.17% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.10% | 89.44% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.98% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.64% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.60% | 95.50% |
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 coccinea |
| PubChem | 49770141 |
| LOTUS | LTS0095804 |
| wikiData | Q105240857 |