[3,9,19-Trihydroxy-4,5-dimethoxy-9,10-dimethyl-8-(2-methylbut-2-enoyloxy)-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 | a1a7313a-3d15-4a92-964d-f52ca22d1248 |
Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
IUPAC Name | [3,9,19-trihydroxy-4,5-dimethoxy-9,10-dimethyl-8-(2-methylbut-2-enoyloxy)-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(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)O)O)OC)OC)OC(=O)C(=CC)C)(C)O)C |
SMILES (Isomeric) | CC=C(C)C(=O)OC1C(C(C(C2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)O)O)OC)OC)OC(=O)C(=CC)C)(C)O)C |
InChI | InChI=1S/C31H36O11/c1-9-14(3)29(34)41-25-16(5)31(6,36)28(42-30(35)15(4)10-2)18-12-19(37-7)26(38-8)23(32)22(18)21-17(25)11-20-27(24(21)33)40-13-39-20/h9-12,16,25,28,32-33,36H,13H2,1-8H3 |
InChI Key | BAMNGVHFHRSHFX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H36O11 |
Molecular Weight | 584.60 g/mol |
Exact Mass | 584.22576196 g/mol |
Topological Polar Surface Area (TPSA) | 150.00 Ų |
XlogP | 4.60 |
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 | 99.80% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.21% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.55% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.64% | 86.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.58% | 96.77% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.88% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.34% | 91.19% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.79% | 99.17% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.46% | 92.94% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.01% | 94.80% |
CHEMBL2581 | P07339 | Cathepsin D | 82.67% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.61% | 100.00% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.55% | 85.30% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.10% | 94.00% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.55% | 89.50% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.99% | 82.67% |
CHEMBL2535 | P11166 | Glucose transporter | 80.74% | 98.75% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.45% | 90.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.19% | 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.
Schisandra propinqua |
PubChem | 73049115 |
LOTUS | LTS0108816 |
wikiData | Q104922298 |