(9-Hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-11-oxo-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 | 03c7d221-588c-4ee6-ac1a-733baec0c4f0 |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | (9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-11-oxo-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) | CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C(=O)C(C1(C)O)C)OCO4)OC)OC)OC)OC |
SMILES (Isomeric) | CC=C(C)C(=O)OC1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C(=O)C(C1(C)O)C)OCO4)OC)OC)OC)OC |
InChI | InChI=1S/C28H32O10/c1-9-13(2)27(30)38-26-16-11-17(32-5)22(33-6)24(34-7)20(16)19-15(21(29)14(3)28(26,4)31)10-18-23(25(19)35-8)37-12-36-18/h9-11,14,26,31H,12H2,1-8H3 |
InChI Key | UJOPJPFHTYUBCR-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H32O10 |
Molecular Weight | 528.50 g/mol |
Exact Mass | 528.19954721 g/mol |
Topological Polar Surface Area (TPSA) | 119.00 Ų |
XlogP | 3.80 |
There are no found synonyms. |
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 | 99.19% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.48% | 96.77% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.85% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.34% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.76% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.17% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.77% | 91.19% |
CHEMBL2581 | P07339 | Cathepsin D | 86.37% | 98.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.21% | 92.94% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.92% | 80.96% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.92% | 91.07% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.54% | 99.23% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.50% | 94.80% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.37% | 89.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.21% | 100.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.11% | 97.14% |
CHEMBL2535 | P11166 | Glucose transporter | 82.81% | 98.75% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.52% | 82.67% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.61% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.45% | 95.89% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.64% | 94.00% |
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 |
PubChem | 162860192 |
LOTUS | LTS0042964 |
wikiData | Q105274068 |