(4S,5S,6E,8E,11Z,26Z)-4,5-dihydroxy-22-aza-16-azoniahexacyclo[16.16.1.11,16.02,22.03,16.03,19]hexatriaconta-6,8,11,26-tetraen-36-olate
| Internal ID | def3d959-b03a-41d2-8a4e-05cb76c4b652 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | (4S,5S,6E,8E,11Z,26Z)-4,5-dihydroxy-22-aza-16-azoniahexacyclo[16.16.1.11,16.02,22.03,16.03,19]hexatriaconta-6,8,11,26-tetraen-36-olate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H52N2O3/c37-29-19-15-11-7-3-6-10-14-18-24-36-26-27-25-33(32(36)39)21-16-12-8-4-1-2-5-9-13-17-22-35-23-20-28(27)34(36,30(29)38)31(33)35/h5-7,9-11,15,19,27-32,37-38H,1-4,8,12-14,16-18,20-26H2/b9-5-,10-6-,11-7+,19-15+/t27?,28?,29-,30+,31?,32?,33?,34?,36?/m0/s1 |
| InChI Key | OAGSCZDUNBBSTP-MSRCWKMZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H52N2O3 |
| Molecular Weight | 536.80 g/mol |
| Exact Mass | 536.39779352 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of (4S,5S,6E,8E,11Z,26Z)-4,5-dihydroxy-22-aza-16-azoniahexacyclo[16.16.1.11,16.02,22.03,16.03,19]hexatriaconta-6,8,11,26-tetraen-36-olate](https://plantaedb.com/storage/docs/compounds/2023/11/d20bf300-859e-11ee-ad83-f1410b6c2e8b.jpg "2D Structure of (4S,5S,6E,8E,11Z,26Z)-4,5-dihydroxy-22-aza-16-azoniahexacyclo[16.16.1.11,16.02,22.03,16.03,19]hexatriaconta-6,8,11,26-tetraen-36-olate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.55% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.27% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.61% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 88.02% | 98.46% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.65% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.08% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.54% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.88% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.73% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.24% | 91.11% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 83.83% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.82% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.66% | 91.24% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.52% | 89.63% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.09% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.98% | 82.69% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.21% | 96.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.96% | 93.04% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.90% | 93.56% |
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 | 100929726 |
| LOTUS | LTS0069643 |
| wikiData | Q105280838 |