2-(29,32-dihydroxy-7,10,16,17-tetramethyl-24-methylidene-34,35,36-trioxa-19-azahexacyclo[28.3.1.11,4.126,30.09,14.014,20]hexatriaconta-7,10,19-trien-11-yl)-3-methyl-2H-furan-5-one
| Internal ID | 3ca6e552-bc12-4d22-b790-a4673dc88409 |
| Taxonomy | Organoheterocyclic compounds > Azepines |
| IUPAC Name | 2-(29,32-dihydroxy-7,10,16,17-tetramethyl-24-methylidene-34,35,36-trioxa-19-azahexacyclo[28.3.1.11,4.126,30.09,14.014,20]hexatriaconta-7,10,19-trien-11-yl)-3-methyl-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H61NO7/c1-25-8-7-9-36-40(21-28(4)29(5)24-43-36)16-15-34(39-27(3)20-38(46)47-39)30(6)35(40)19-26(2)10-11-32-14-17-41(48-32)22-31(44)23-42(50-41)37(45)13-12-33(18-25)49-42/h19-20,28-29,31-33,35,37,39,44-45H,1,7-18,21-24H2,2-6H3 |
| InChI Key | SIGUNXJWFCIZTI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H61NO7 |
| Molecular Weight | 691.90 g/mol |
| Exact Mass | 691.44480328 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 2-(29,32-dihydroxy-7,10,16,17-tetramethyl-24-methylidene-34,35,36-trioxa-19-azahexacyclo[28.3.1.11,4.126,30.09,14.014,20]hexatriaconta-7,10,19-trien-11-yl)-3-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/ec5b4140-863a-11ee-809b-5dabb2369575.jpg "2D Structure of 2-(29,32-dihydroxy-7,10,16,17-tetramethyl-24-methylidene-34,35,36-trioxa-19-azahexacyclo[28.3.1.11,4.126,30.09,14.014,20]hexatriaconta-7,10,19-trien-11-yl)-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.19% | 91.11% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 95.82% | 86.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.53% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.52% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.29% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 90.14% | 96.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.24% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.74% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.38% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.31% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.99% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.83% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.26% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.25% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.92% | 94.80% |
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.
| There are no matching plants. |
| PubChem | 162977370 |
| LOTUS | LTS0088446 |
| wikiData | Q105253744 |