(14R,17S,19S)-8,13,13,17-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-hexaene
| Internal ID | 8c082be5-8ef9-46c1-ae6f-a63d1a70cf1d |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (14R,17S,19S)-8,13,13,17-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-hexaene |
| SMILES (Canonical) | CC1=CC2=C(C=C1)N3C4=C2C=CC5=C4C6CC(O5)(CCC6C3(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1)N3C4=C2C=CC5=C4[C@H]6C[C@@](O5)(CC[C@H]6C3(C)C)C |
| InChI | InChI=1S/C23H25NO/c1-13-5-7-18-15(11-13)14-6-8-19-20-16-12-23(4,25-19)10-9-17(16)22(2,3)24(18)21(14)20/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1 |
| InChI Key | SCQKOFCBSCEEQG-MFEFFIJZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H25NO |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.193614421 g/mol |
| Topological Polar Surface Area (TPSA) | 14.20 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (14R,17S,19S)-8,13,13,17-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-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/8a4fd830-85ea-11ee-9a0e-ffb451b315b0.jpg "2D Structure of (14R,17S,19S)-8,13,13,17-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-hexaene")
| 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 | 98.21% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.40% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.30% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.16% | 89.62% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.98% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.74% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.16% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.21% | 96.43% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.69% | 94.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.91% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.64% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.46% | 94.80% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.01% | 85.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.58% | 85.30% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.05% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.94% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.50% | 93.18% |
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.
| Murraya koenigii |
| PubChem | 162977194 |
| LOTUS | LTS0202444 |
| wikiData | Q105250355 |