(-)-Steganacin
| Internal ID | d1ba1562-ad0f-43d7-beab-b2cba8c9dea9 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan lactones |
| IUPAC Name | [(9R,13R,14R)-3,4,5-trimethoxy-10-oxo-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-14-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C2COC(=O)C2CC3=CC(=C(C(=C3C4=CC5=C(C=C14)OCO5)OC)OC)OC |
| SMILES (Isomeric) | CC(=O)O[C@@H]1[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C(=C3C4=CC5=C(C=C14)OCO5)OC)OC)OC |
| InChI | InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16+,21+/m1/s1 |
| InChI Key | XJTXBUKLGQCZHC-XFQAVAEZSA-N |
| Popularity | 17 references in papers |
| Molecular Formula | C24H24O9 |
| Molecular Weight | 456.40 g/mol |
| Exact Mass | 456.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 98.80 Ų |
| XlogP | 2.90 |
| (-)-Steganacin |
| CHEBI:9259 |
| 41451-68-7 |
| CHEMBL154064 |
| ACon1_001754 |
| SCHEMBL10065023 |
| DTXSID70961694 |
| AKOS040734933 |
| NCGC00180175-01 |
| BRD-K54912600-001-01-8 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.60% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.56% | 96.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.44% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.32% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.57% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.51% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.29% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.98% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.44% | 91.19% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.41% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.17% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.08% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.00% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.26% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.27% | 82.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.26% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.00% | 96.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.91% | 96.86% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.54% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.36% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.84% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.42% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.96% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.86% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.71% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.22% | 96.00% |
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.
| Steganotaenia araliacea |
| PubChem | 443021 |
| LOTUS | LTS0052606 |
| wikiData | Q82943157 |