(2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one
| Internal ID | 6ed0525e-7008-4cbf-98c1-e61a366edb5e |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Tetrahydropyridines |
| IUPAC Name | (2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one |
| SMILES (Canonical) | CC1CC2CCC(C(=CC3C(CCC(=C3C)C4C=C(C(=O)O4)C)CC5CCCN=C5C=C(C1O2)C)C)O |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@@H]3C(CCC(=C3C)[C@@H]4C=C(C(=O)O4)C)C[C@H]5CCCN=C5/C=C(/[C@H]1O2)\C)/C)O |
| InChI | InChI=1S/C32H45NO4/c1-18-14-27-22(5)26(30-16-21(4)32(35)37-30)10-8-23(27)17-24-7-6-12-33-28(24)15-20(3)31-19(2)13-25(36-31)9-11-29(18)34/h14-16,19,23-25,27,29-31,34H,6-13,17H2,1-5H3/b18-14+,20-15+/t19-,23?,24-,25+,27+,29+,30+,31+/m1/s1 |
| InChI Key | UCHGCIXABSCOFK-STHGLBKMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H45NO4 |
| Molecular Weight | 507.70 g/mol |
| Exact Mass | 507.33485892 g/mol |
| Topological Polar Surface Area (TPSA) | 68.10 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/fb40f3c0-8551-11ee-b235-a3596b7fd55a.jpg "2D Structure of (2S)-2-[(1S,2E,9R,16S,17E,19S,22S,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-5-azatetracyclo[20.2.1.04,9.011,16]pentacosa-2,4,14,17-tetraen-14-yl]-4-methyl-2H-furan-5-one")
| 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 | 95.08% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.23% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.77% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.78% | 94.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.61% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.16% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.33% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.03% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.72% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.49% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.95% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.27% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 6442214 |
| LOTUS | LTS0185079 |
| wikiData | Q105269905 |