[(8S,9S,10S,11R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(E)-3-phenylprop-2-enoyl]-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate
| Internal ID | b7a193d2-f91d-4587-aeb2-8f6c4f09814a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8S,9S,10S,11R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(E)-3-phenylprop-2-enoyl]-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate |
| SMILES (Canonical) | CC1C(C2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)C(=O)C=CC5=CC=CC=C5)OC)OC)OC)OC)OCO3)OC(=O)C6=CC=CC=C6 |
| SMILES (Isomeric) | C[C@H]1[C@H](C2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@@]1(C)O)C(=O)/C=C/C5=CC=CC=C5)OC)OC)OC)OC)OCO3)OC(=O)C6=CC=CC=C6 |
| InChI | InChI=1S/C39H38O10/c1-22-33(49-38(41)24-15-11-8-12-16-24)26-20-29-35(48-21-47-29)37(46-6)31(26)30-25(19-28(43-3)34(44-4)36(30)45-5)32(39(22,2)42)27(40)18-17-23-13-9-7-10-14-23/h7-20,22,32-33,42H,21H2,1-6H3/b18-17+/t22-,32+,33+,39-/m0/s1 |
| InChI Key | ZMHHYYIXOWWUKL-VGRRBQHDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H38O10 |
| Molecular Weight | 666.70 g/mol |
| Exact Mass | 666.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of [(8S,9S,10S,11R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(E)-3-phenylprop-2-enoyl]-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/4fb18450-8573-11ee-9606-67c11b42edd6.jpg "2D Structure of [(8S,9S,10S,11R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-8-[(E)-3-phenylprop-2-enoyl]-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 99.01% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.48% | 96.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 95.16% | 89.44% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.81% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.80% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.79% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.84% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.40% | 96.77% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.19% | 92.98% |
| CHEMBL5028 | O14672 | ADAM10 | 87.82% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.62% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.28% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.74% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.11% | 89.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.95% | 83.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.32% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.62% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.33% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.06% | 89.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.02% | 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.
| Schisandra propinqua |
| PubChem | 45273540 |
| LOTUS | LTS0091586 |
| wikiData | Q105379461 |