Sciadenine
| Internal ID | f7fb0c29-3b5c-4007-aebd-44bb0da92ba7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 5,19,20-trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaen-4-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)O)OC |
| InChI | InChI=1S/C37H40N2O6/c1-38-16-14-24-20-30(41-3)34(40)36-32(24)28(38)18-22-8-12-27(13-9-22)45-37-33-25(21-31(42-4)35(37)43-5)15-17-39(2)29(33)19-23-6-10-26(44-36)11-7-23/h6-13,20-21,28-29,40H,14-19H2,1-5H3 |
| InChI Key | KTAONUHTYCZKBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40N2O6 |
| Molecular Weight | 608.70 g/mol |
| Exact Mass | 608.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.30 |
| 59043-23-1 |
| SCIADENINE |
| KTAONUHTYCZKBS-UHFFFAOYSA- |
| DTXSID30313751 |
| NSC-276413 |
| InChI=1/C37H40N2O6/c1-38-16-14-24-20-30(41-3)34(40)36-32(24)28(38)18-22-8-12-27(13-9-22)45-37-33-25(21-31(42-4)35(37)43-5)15-17-39(2)29(33)19-23-6-10-26(44-36)11-7-23/h6-13,20-21,28-29,40H,14-19H2,1-5H3 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.12% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.39% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.35% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.35% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.60% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.10% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.31% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.84% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.03% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.86% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.12% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.74% | 82.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.42% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.66% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.80% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.77% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.12% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.08% | 100.00% |
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.
| Anisocycla jollyana |
| PubChem | 321895 |
| LOTUS | LTS0268781 |
| wikiData | Q82064983 |