3,13,13,17-Tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
| Internal ID | 298fb4d7-3b05-4bc0-a275-ff3f080db556 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol |
| SMILES (Canonical) | CC1=CC2=C3C4=C1OC5(CCC(C4C5)C(N3C6=C2C=CC(=C6)O)(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C3C4=C1OC5(CCC(C4C5)C(N3C6=C2C=CC(=C6)O)(C)C)C |
| InChI | InChI=1S/C23H25NO2/c1-12-9-15-14-6-5-13(25)10-18(14)24-20(15)19-16-11-23(4,26-21(12)19)8-7-17(16)22(24,2)3/h5-6,9-10,16-17,25H,7-8,11H2,1-4H3 |
| InChI Key | YDUWCKHQORLZSO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H25NO2 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.188529040 g/mol |
| Topological Polar Surface Area (TPSA) | 34.40 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 3,13,13,17-Tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/81fc6e00-86c9-11ee-bba3-69211609ec9c.jpg "2D Structure of 3,13,13,17-Tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.79% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.02% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.65% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.54% | 89.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.24% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.64% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.17% | 89.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.85% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.59% | 96.43% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.47% | 91.49% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.24% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.22% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.44% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.37% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.53% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.05% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.63% | 92.94% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.35% | 90.24% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.34% | 100.00% |
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.
| Bergera euchrestifolia |
| PubChem | 77994132 |
| LOTUS | LTS0109026 |
| wikiData | Q105347049 |