Ananolignan B
| Internal ID | e75ed61b-c823-4a28-86ac-979c74e63e95 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9S,10S,11S)-3,4,5,19-tetramethoxy-9,10-dimethyl-8-oxo-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] acetate |
| SMILES (Canonical) | CC1C(C(=O)C2=CC(=C(C(=C2C3=C(C4=C(C=C3C1OC(=O)C)OCO4)OC)OC)OC)OC)C |
| SMILES (Isomeric) | C[C@H]1[C@@H](C(=O)C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@H]1OC(=O)C)OCO4)OC)OC)OC)OC)C |
| InChI | InChI=1S/C25H28O9/c1-11-12(2)21(34-13(3)26)15-9-17-23(33-10-32-17)25(31-7)19(15)18-14(20(11)27)8-16(28-4)22(29-5)24(18)30-6/h8-9,11-12,21H,10H2,1-7H3/t11-,12-,21-/m0/s1 |
| InChI Key | AMQMJZAWJCIUQK-OABGYEMISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H28O9 |
| Molecular Weight | 472.50 g/mol |
| Exact Mass | 472.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 98.80 Ų |
| XlogP | 3.80 |
| CHEBI:67439 |
| CHEMBL1782110 |
| Q27135906 |
| (6S,7S,8S)-1,2,3,13-Tetramethoxy-6,7-dimethyl-5-oxo-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.33% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.56% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 95.26% | 96.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.16% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.28% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.55% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.09% | 89.50% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.92% | 80.96% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.24% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.81% | 97.25% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.47% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.08% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.74% | 94.80% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.50% | 96.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.23% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.04% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.44% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.58% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.79% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.77% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.87% | 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 coccinea |
| PubChem | 53355339 |
| LOTUS | LTS0267027 |
| wikiData | Q27135906 |