steganoate B
| Internal ID | 3070539e-d993-459d-b83b-69f03390534b |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzocyclooctadiene lignans |
| IUPAC Name | methyl (9R,10R)-3,4,6,10-tetramethoxy-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene-9-carboxylate |
| SMILES (Canonical) | COC1CC2=CC3=C(C=C2C4=C(CC1C(=O)OC)C(=CC(=C4OC)OC)OC)OCO3 |
| SMILES (Isomeric) | CO[C@@H]1CC2=CC3=C(C=C2C4=C(C[C@H]1C(=O)OC)C(=CC(=C4OC)OC)OC)OCO3 |
| InChI | InChI=1S/C23H26O8/c1-25-16-6-12-7-18-19(31-11-30-18)9-13(12)21-14(8-15(16)23(24)29-5)17(26-2)10-20(27-3)22(21)28-4/h7,9-10,15-16H,6,8,11H2,1-5H3/t15-,16-/m1/s1 |
| InChI Key | PSZQHRCYUYZKHC-HZPDHXFCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 3.30 |
| 152645-87-9 |
| CHEMBL470471 |
| 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 | 95.94% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.59% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 94.14% | 96.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.15% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.64% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.62% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.39% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.21% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.66% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.01% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.99% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.96% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.56% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.47% | 90.71% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.53% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.29% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.94% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.70% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.41% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.33% | 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.
| Steganotaenia araliacea |
| PubChem | 44559721 |
| LOTUS | LTS0080508 |
| wikiData | Q105214495 |