(1R,9R,16R,18R,20R,22R)-19,21-dioxa-2,12-diazaheptacyclo[10.9.1.116,20.01,9.02,18.03,8.016,22]tricosa-3,5,7-trien-9-ol
| Internal ID | 1c67036a-3ddb-4d31-9a2c-8cae89d81269 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | (1R,9R,16R,18R,20R,22R)-19,21-dioxa-2,12-diazaheptacyclo[10.9.1.116,20.01,9.02,18.03,8.016,22]tricosa-3,5,7-trien-9-ol |
| SMILES (Canonical) | C1CC23CC4N5C6=CC=CC=C6C7(C5(C2N(C1)CC7)OC(C3)O4)O |
| SMILES (Isomeric) | C1C[C@]23C[C@@H]4N5C6=CC=CC=C6[C@]7([C@@]5([C@@H]2N(C1)CC7)O[C@H](C3)O4)O |
| InChI | InChI=1S/C19H22N2O3/c22-18-7-9-20-8-3-6-17-10-14-21(13-5-2-1-4-12(13)18)19(18,16(17)20)24-15(11-17)23-14/h1-2,4-5,14-16,22H,3,6-11H2/t14-,15-,16-,17-,18-,19-/m1/s1 |
| InChI Key | UGGLHLKBPREGPE-MGYGNFHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22N2O3 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,9R,16R,18R,20R,22R)-19,21-dioxa-2,12-diazaheptacyclo[10.9.1.116,20.01,9.02,18.03,8.016,22]tricosa-3,5,7-trien-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9264c960-8481-11ee-b209-eb4ee67db844.jpg "2D Structure of (1R,9R,16R,18R,20R,22R)-19,21-dioxa-2,12-diazaheptacyclo[10.9.1.116,20.01,9.02,18.03,8.016,22]tricosa-3,5,7-trien-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 91.19% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.83% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.61% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.61% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.07% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.90% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.87% | 95.56% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 82.26% | 98.44% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.48% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.42% | 97.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.07% | 94.08% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.64% | 89.62% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.53% | 96.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.05% | 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.
| Kopsia profunda |
| PubChem | 163067048 |
| LOTUS | LTS0138368 |
| wikiData | Q105272331 |