(3-Hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) 2-methylbut-2-enoate
Internal ID | 3d0d3d81-93e2-4228-8458-c3182f48b5ac |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | (3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) 2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)C)C |
SMILES (Isomeric) | CC=C(C)C(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)C)C |
InChI | InChI=1S/C27H32O8/c1-8-13(2)27(29)35-23-15(4)14(3)9-16-10-18(30-5)24(31-6)22(28)20(16)21-17(23)11-19-25(26(21)32-7)34-12-33-19/h8,10-11,14-15,23,28H,9,12H2,1-7H3 |
InChI Key | CQWHTXPRAFEPNO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H32O8 |
Molecular Weight | 484.50 g/mol |
Exact Mass | 484.20971797 g/mol |
Topological Polar Surface Area (TPSA) | 92.70 Ų |
XlogP | 5.50 |
There are no found synonyms. |
![2D Structure of (3-Hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) 2-methylbut-2-enoate 2D Structure of (3-Hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/44641070-84ea-11ee-8ab3-fd014fa39b0a.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 | 99.21% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.90% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.10% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.41% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.87% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.79% | 99.17% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.95% | 95.56% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.68% | 96.77% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 87.91% | 95.62% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.62% | 89.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.44% | 92.62% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.65% | 82.67% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.46% | 91.19% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.63% | 94.80% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.51% | 92.94% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.75% | 80.96% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.18% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.09% | 95.89% |
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 japonica |
Kadsura philippinensis |
PubChem | 73175761 |
LOTUS | LTS0129217 |
wikiData | Q104398011 |