9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene
| Internal ID | 3729e816-bde5-4e0d-b04d-57e7f7676cae |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 9,12-dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene |
| SMILES (Canonical) | CC1C(C2C3=CC4=C(C(=C3C5=C(C6=C(C=C5C1O2)OCO6)OC)OC)OCO4)C |
| SMILES (Isomeric) | CC1C(C2C3=CC4=C(C(=C3C5=C(C6=C(C=C5C1O2)OCO6)OC)OC)OCO4)C |
| InChI | InChI=1S/C22H22O7/c1-9-10(2)18-12-6-14-20(28-8-26-14)22(24-4)16(12)15-11(17(9)29-18)5-13-19(21(15)23-3)27-7-25-13/h5-6,9-10,17-18H,7-8H2,1-4H3 |
| InChI Key | CYJVZLGKOMMOJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O7 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 64.60 Ų |
| XlogP | 3.80 |
| 81345-36-0 |
| AKOS040762309 |
![2D Structure of 9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/25c405b0-85d2-11ee-b504-49e3d41f5537.jpg "2D Structure of 9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.15% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.56% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.00% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.27% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.08% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.93% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.76% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.69% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.58% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.96% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.96% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.65% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.27% | 95.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.07% | 93.99% |
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 | 338281 |
| LOTUS | LTS0274007 |
| wikiData | Q104972376 |