(1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-one
| Internal ID | f8a35e24-231b-4d6c-9c42-7db25840cff0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H37NO4/c1-14-15-6-9-26(4)17-11-21(29)18-12-22(30)23(31)13-27(18,5)16(17)10-20(24(15)26)28-19(14)7-8-25(2,3)32/h11,16,18,22-23,30-32H,6-10,12-13H2,1-5H3/t16-,18-,22+,23-,26+,27+/m0/s1 |
| InChI Key | ULPGFWCVEISNKT-VNLCIVOGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H37NO4 |
| Molecular Weight | 439.60 g/mol |
| Exact Mass | 439.27225866 g/mol |
| Topological Polar Surface Area (TPSA) | 90.70 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/457c20a0-85b9-11ee-8b5c-43fc78bfb951.jpg "2D Structure of (1R,5R,7R,8S,10R,11R)-7,8-dihydroxy-15-(3-hydroxy-3-methylbutyl)-1,10,16-trimethyl-14-azapentacyclo[11.6.1.02,11.05,10.017,20]icosa-2,13(20),14,16-tetraen-4-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.07% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.43% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.40% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.63% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.56% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.23% | 86.33% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 85.78% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.64% | 100.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.25% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.96% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.51% | 93.31% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.93% | 96.39% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.86% | 98.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.82% | 89.05% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.42% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.13% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.97% | 96.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.74% | 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.
To see more specific details click the taxa you are interested in.
| Diploclisia glaucescens |
| PubChem | 101262935 |
| LOTUS | LTS0096504 |
| wikiData | Q105275260 |