Marlignan R
| Internal ID | 474f7a53-c1dc-4cc7-b97c-84600f212779 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (9S,10S,11R)-4,5,11,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC)OCO4)OC)O)OC)OC |
| SMILES (Isomeric) | C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@H]1C)OC)OCO4)OC)O)OC)OC |
| InChI | InChI=1S/C23H28O7/c1-11-7-13-8-15(25-3)21(27-5)19(24)17(13)18-14(20(26-4)12(11)2)9-16-22(23(18)28-6)30-10-29-16/h8-9,11-12,20,24H,7,10H2,1-6H3/t11-,12-,20+/m0/s1 |
| InChI Key | HZQALWQXBWOKBO-JOOBJXAISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 4.20 |
| CHEMBL2334866 |
| 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 | 98.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.77% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.32% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.35% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.14% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.90% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.64% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.29% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.25% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.42% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.01% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.41% | 96.86% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.84% | 91.79% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.71% | 89.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.08% | 82.38% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.31% | 94.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.22% | 88.48% |
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.
| There are no matching plants. |
| PubChem | 71577008 |
| LOTUS | LTS0204593 |
| wikiData | Q105035786 |