9H,11H-1,13-Methano-10,15-[3]tetradeceno-2H-azecino[2,3-i]isoquinolin-7-ol, 7,8,12,12a,13,15a-hexahydro-, (3Z,5Z,26Z)-
| Internal ID | 831c145d-a192-43ea-9fef-eecc5657637d |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Naphthyridines |
| IUPAC Name | (14Z,26Z,28Z)-18,24-diazapentacyclo[16.13.1.13,22.01,21.02,24]tritriaconta-3(33),14,26,28-tetraen-30-ol |
| SMILES (Canonical) | C1CCCCCC2=CC3CN4C2C5(C3CCN(C5)CCC=CCCCC1)CC(C=CC=CC4)O |
| SMILES (Isomeric) | C1CCCCCC2=CC3CN4C2C5(C3CCN(C5)CC/C=C\CCCC1)CC(/C=C\C=C/C4)O |
| InChI | InChI=1S/C31H48N2O/c34-28-17-13-11-15-20-33-24-27-22-26-16-12-9-7-5-3-1-2-4-6-8-10-14-19-32-21-18-29(27)31(23-28,25-32)30(26)33/h8,10-11,13,15,17,22,27-30,34H,1-7,9,12,14,16,18-21,23-25H2/b10-8-,15-11-,17-13- |
| InChI Key | ASPMOPRBGPEGOV-QEZAQBRBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H48N2O |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.376664159 g/mol |
| Topological Polar Surface Area (TPSA) | 26.70 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 9H,11H-1,13-Methano-10,15-[3]tetradeceno-2H-azecino[2,3-i]isoquinolin-7-ol, 7,8,12,12a,13,15a-hexahydro-, (3Z,5Z,26Z)-](https://plantaedb.com/storage/docs/compounds/2023/11/63ffe5e0-85c4-11ee-b93c-a7d0d3bb9377.jpg "2D Structure of 9H,11H-1,13-Methano-10,15-[3]tetradeceno-2H-azecino[2,3-i]isoquinolin-7-ol, 7,8,12,12a,13,15a-hexahydro-, (3Z,5Z,26Z)-")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 94.21% | 94.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.79% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.75% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.89% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.76% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.85% | 98.46% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.49% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.44% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.27% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.19% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.99% | 95.62% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.38% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.32% | 90.00% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 81.26% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.79% | 94.66% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.36% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.00% | 92.62% |
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 | 16728497 |
| LOTUS | LTS0165613 |
| wikiData | Q105100077 |