13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene
| Internal ID | 46867ca9-576c-4aa5-b94a-6c78c276a333 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | 13,16-dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene |
| SMILES (Canonical) | CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(C)C)C)NC5=CC=CC=C52 |
| SMILES (Isomeric) | CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(C)C)C)NC5=CC=CC=C52 |
| InChI | InChI=1S/C23H27NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,13,15,18,24H,9-10,12H2,1-4H3 |
| InChI Key | GERWGWCJTWPXEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H27NO |
| Molecular Weight | 333.50 g/mol |
| Exact Mass | 333.209264485 g/mol |
| Topological Polar Surface Area (TPSA) | 25.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/52a4de90-85d1-11ee-85ab-b936cefb2bc1.jpg "2D Structure of 13,16-Dimethyl-19-propan-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 96.93% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.39% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.29% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.24% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.07% | 97.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.88% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.67% | 88.56% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 91.18% | 85.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.30% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.28% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.05% | 98.59% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.94% | 89.44% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.74% | 97.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.55% | 94.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.34% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.49% | 97.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.59% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.44% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.06% | 91.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.73% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.70% | 90.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.34% | 94.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.13% | 93.99% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.52% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.25% | 93.40% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.16% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.97% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.96% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.31% | 99.23% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.21% | 95.34% |
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 paniculata |
| PubChem | 101324894 |
| LOTUS | LTS0097013 |
| wikiData | Q105007304 |