(1S,12R,14S,24R)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-24-ol
| Internal ID | ccbf546e-6771-44e8-b3b7-bad16e19faa3 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | (1S,12R,14S,24R)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-24-ol |
| SMILES (Canonical) | CN1C2CC3=CC4=C(C=C3C25C(C6=C(C1O5)C7=C(C=C6)OCO7)O)OCO4 |
| SMILES (Isomeric) | CN1[C@@H]2CC3=CC4=C(C=C3[C@@]25[C@@H](C6=C([C@@H]1O5)C7=C(C=C6)OCO7)O)OCO4 |
| InChI | InChI=1S/C20H17NO6/c1-21-15-5-9-4-13-14(25-7-24-13)6-11(9)20(15)18(22)10-2-3-12-17(26-8-23-12)16(10)19(21)27-20/h2-4,6,15,18-19,22H,5,7-8H2,1H3/t15-,18-,19+,20+/m1/s1 |
| InChI Key | LXXMSQCFZNGXJH-XCLNPWKQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17NO6 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,12R,14S,24R)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-24-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ffa137a0-8594-11ee-9788-f97dce84480c.jpg "2D Structure of (1S,12R,14S,24R)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaen-24-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.23% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.41% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.23% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.17% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.96% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.59% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.29% | 93.40% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.18% | 95.34% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.86% | 97.93% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.52% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.28% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.23% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.11% | 90.71% |
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.
| Sarcocapnos enneaphylla |
| PubChem | 162898838 |
| LOTUS | LTS0156012 |
| wikiData | Q105159149 |