(9,19-Dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-11-propanoyloxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) 2-methylbut-2-enoate
Internal ID | 37d53e4a-bb1f-44a5-a7b3-0e3df33a3eb0 |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | (9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-11-propanoyloxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) 2-methylbut-2-enoate |
SMILES (Canonical) | CCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)O)OC)OC)OC)OC(=O)C(=CC)C)(C)O)C |
SMILES (Isomeric) | CCC(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)O)OC)OC)OC)OC(=O)C(=CC)C)(C)O)C |
InChI | InChI=1S/C30H36O11/c1-9-14(3)29(33)41-28-17-12-18(35-6)26(36-7)27(37-8)22(17)21-16(11-19-25(23(21)32)39-13-38-19)24(40-20(31)10-2)15(4)30(28,5)34/h9,11-12,15,24,28,32,34H,10,13H2,1-8H3 |
InChI Key | PZUOREBOSWXUHX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H36O11 |
Molecular Weight | 572.60 g/mol |
Exact Mass | 572.22576196 g/mol |
Topological Polar Surface Area (TPSA) | 139.00 Ų |
XlogP | 4.20 |
There are no found synonyms. |
![2D Structure of (9,19-Dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-11-propanoyloxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) 2-methylbut-2-enoate 2D Structure of (9,19-Dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-11-propanoyloxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/9647a2c0-870c-11ee-aa9e-3b7db22aad41.jpg)
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 | 99.75% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.34% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.12% | 89.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.04% | 96.77% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.23% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.11% | 99.17% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.63% | 96.95% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.47% | 89.50% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.31% | 92.94% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.65% | 94.80% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.98% | 96.00% |
CHEMBL2581 | P07339 | Cathepsin D | 84.92% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.90% | 95.56% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.56% | 95.89% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.11% | 89.62% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.96% | 97.25% |
CHEMBL2535 | P11166 | Glucose transporter | 80.68% | 98.75% |
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 oblongifolia |
Schisandra propinqua |
PubChem | 162846499 |
LOTUS | LTS0099195 |
wikiData | Q105217141 |