Crambescidin 830
| Internal ID | 967450e9-c5fb-490e-9e38-ace912ba6080 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H84N6O7/c1-3-39-23-17-18-27-44(59-39)34-37-25-29-46(56)41(45(28-20-22-36(2)58-45)50-43(49-44)52(37)46)42(55)57-33-19-15-13-11-9-7-5-4-6-8-10-12-14-16-24-40(54)51(32-21-30-47)35-38(53)26-31-48/h36-39,41,53,56H,3-35,47-48H2,1-2H3,(H,49,50)/t36-,37+,38?,39+,41?,44+,45-,46?/m0/s1 |
| InChI Key | SKLRWGZXDVUUMH-IPKFWBOBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C46H84N6O7 |
| Molecular Weight | 833.20 g/mol |
| Exact Mass | 832.64014904 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 7.40 |
| CHEMBL445439 |
| 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 | 99.48% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.61% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.04% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.81% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.86% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.29% | 90.17% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 95.17% | 89.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.51% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.16% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.87% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.69% | 96.38% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 90.69% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.52% | 99.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.69% | 92.98% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 89.04% | 98.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.33% | 82.69% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.68% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.59% | 91.19% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.82% | 97.93% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.79% | 97.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.44% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.22% | 98.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.74% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.79% | 92.62% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.35% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.30% | 90.71% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.70% | 92.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.61% | 93.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.49% | 95.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.37% | 80.33% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 80.91% | 95.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.30% | 96.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.06% | 94.66% |
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 | 44576168 |
| LOTUS | LTS0220403 |
| wikiData | Q105254910 |