kopsiloscine E
Internal ID | 4731e01a-0b76-4ad3-8283-6e7cb2c15a22 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | dimethyl (1S,9R,15S,16R,17S,18R,21R)-15,17,18-trihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate |
SMILES (Canonical) | COC1=CC2=C(C=C1)N(C34C25CCN6C5C(CC3)(C(CC6)O)C(C4(C(=O)OC)O)O)C(=O)OC |
SMILES (Isomeric) | COC1=CC2=C(C=C1)N([C@]34[C@]25CCN6[C@H]5[C@](CC3)([C@H](CC6)O)[C@@H]([C@]4(C(=O)OC)O)O)C(=O)OC |
InChI | InChI=1S/C24H30N2O8/c1-32-13-4-5-15-14(12-13)22-9-11-25-10-6-16(27)21(17(22)25)7-8-23(22,26(15)20(30)34-3)24(31,18(21)28)19(29)33-2/h4-5,12,16-18,27-28,31H,6-11H2,1-3H3/t16-,17-,18-,21-,22+,23-,24+/m0/s1 |
InChI Key | FELVAZDUIFIGTH-HCIKLWIJSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C24H30N2O8 |
Molecular Weight | 474.50 g/mol |
Exact Mass | 474.20021592 g/mol |
Topological Polar Surface Area (TPSA) | 129.00 Ų |
XlogP | 0.50 |
CHEMBL438158 |
![2D Structure of kopsiloscine E 2D Structure of kopsiloscine E](https://plantaedb.com/storage/docs/compounds/2023/11/kopsiloscine-e.jpg)
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 | 99.15% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.80% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.65% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.89% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.03% | 91.19% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.89% | 91.03% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.56% | 90.24% |
CHEMBL5028 | O14672 | ADAM10 | 86.03% | 97.50% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.25% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.23% | 91.07% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.51% | 93.00% |
CHEMBL2535 | P11166 | Glucose transporter | 81.98% | 98.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.70% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.05% | 85.14% |
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.
Kopsia singapurensis |
PubChem | 44445382 |
LOTUS | LTS0070869 |
wikiData | Q104994042 |