[(8S,9S,10R,11S)-3,11-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] acetate
| Internal ID | 96bb3c8f-83db-434f-9df5-526874a8f427 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8S,9S,10R,11S)-3,11-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] acetate |
| SMILES (Canonical) | CC1C(C(C2=CC(=C(C(=C2C3=C(C(=C(C=C3C1O)OC)OC)OC)O)OC)OC)OC(=O)C)C |
| SMILES (Isomeric) | C[C@@H]1[C@@H]([C@@H](C2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@H]1O)OC)OC)OC)O)OC)OC)OC(=O)C)C |
| InChI | InChI=1S/C25H32O9/c1-11-12(2)22(34-13(3)26)15-10-16(29-4)23(31-6)21(28)18(15)19-14(20(11)27)9-17(30-5)24(32-7)25(19)33-8/h9-12,20,22,27-28H,1-8H3/t11-,12+,20+,22+/m1/s1 |
| InChI Key | KLLXSJCDMUHQDV-URQDXZEZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O9 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [(8S,9S,10R,11S)-3,11-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/43f685e0-85bc-11ee-b692-0720c99de9be.jpg "2D Structure of [(8S,9S,10R,11S)-3,11-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] acetate")
| 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 | 97.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.35% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.09% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.89% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.70% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.61% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.41% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.21% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.40% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.25% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.91% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.47% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.16% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.88% | 98.75% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.81% | 89.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.48% | 95.62% |
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 philippinensis |
| PubChem | 25243041 |
| LOTUS | LTS0202902 |
| wikiData | Q104400400 |