(1R,2S,17S)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione
| Internal ID | 06d5c0ea-d1cd-4c00-9b58-27c67b66c149 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (1R,2S,17S)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione |
| SMILES (Canonical) | CC1(C2C3CC(C=C2C4=C(O1)C5=CC=CC=C5N(C4=O)C)(OC6=C3C(=O)N(C7=CC=CC=C76)C)C)C |
| SMILES (Isomeric) | C[C@]12C[C@H]([C@H]3C(=C1)C4=C(C5=CC=CC=C5N(C4=O)C)OC3(C)C)C6=C(O2)C7=CC=CC=C7N(C6=O)C |
| InChI | InChI=1S/C30H28N2O4/c1-29(2)24-18(22-25(35-29)16-10-6-8-12-20(16)31(4)27(22)33)14-30(3)15-19(24)23-26(36-30)17-11-7-9-13-21(17)32(5)28(23)34/h6-14,19,24H,15H2,1-5H3/t19-,24+,30+/m0/s1 |
| InChI Key | GOMYFBXXKAFFLM-IAFMXWEJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28N2O4 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (1R,2S,17S)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione](https://plantaedb.com/storage/docs/compounds/2023/11/80d34250-8592-11ee-b8da-09f2df76fce5.jpg "2D Structure of (1R,2S,17S)-3,3,12,17,26-pentamethyl-4,18-dioxa-12,26-diazaheptacyclo[15.11.1.02,15.05,14.06,11.019,28.020,25]nonacosa-5(14),6,8,10,15,19(28),20,22,24-nonaene-13,27-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.11% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.09% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.67% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.48% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.60% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.29% | 91.49% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.23% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.80% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.60% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 85.37% | 89.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.95% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.44% | 94.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.40% | 96.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.60% | 97.14% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 82.05% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.94% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.28% | 94.75% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.26% | 85.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.66% | 92.97% |
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.
| Euxylophora paraensis |
| PubChem | 21770544 |
| LOTUS | LTS0077175 |
| wikiData | Q105014250 |