Scedapin D
| Internal ID | 314520db-1c99-4bd4-82de-75ac14843e9b |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | (3'aR,11S,13S,15S)-15-hydroxy-2',2',16,16-tetramethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydroimidazo[1,2-a]indole]-1',9,17-trione |
| SMILES (Canonical) | CC1(C(=O)C2=NC3=CC=CC=C3C(=O)N2C4C1(OC5(C4)C6NC(C(=O)N6C7=CC=CC=C57)(C)C)O)C |
| SMILES (Isomeric) | CC1(C(=O)C2=NC3=CC=CC=C3C(=O)N2[C@@H]4[C@]1(O[C@]5(C4)[C@@H]6NC(C(=O)N6C7=CC=CC=C57)(C)C)O)C |
| InChI | InChI=1S/C27H26N4O5/c1-24(2)19(32)20-28-16-11-7-5-9-14(16)21(33)31(20)18-13-26(36-27(18,24)35)15-10-6-8-12-17(15)30-22(26)29-25(3,4)23(30)34/h5-12,18,22,29,35H,13H2,1-4H3/t18-,22+,26-,27+/m0/s1 |
| InChI Key | VBTGWAOZXDRMKD-ICTPLHBVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26N4O5 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.19031994 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.79% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.72% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.30% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.60% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.60% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.28% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.08% | 83.82% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.89% | 94.62% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 89.81% | 96.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.03% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.48% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.12% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.62% | 96.39% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.96% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.03% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.21% | 100.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.48% | 92.67% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.53% | 97.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.34% | 98.46% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.25% | 85.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.23% | 96.67% |
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 | 139591092 |
| LOTUS | LTS0134555 |
| wikiData | Q105283482 |