(4-Hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate
| Internal ID | 74403a00-492e-4e33-af33-07b1a28506ad |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | (4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C2C3(CCCC24C5CC6CCC5(C1OC4N7C3OCC7)CC6(C)O)C |
| SMILES (Isomeric) | CC(=O)OC1C2C3(CCCC24C5CC6CCC5(C1OC4N7C3OCC7)CC6(C)O)C |
| InChI | InChI=1S/C24H35NO5/c1-13(26)29-16-17-21(2)6-4-7-24(17)15-11-14-5-8-23(15,12-22(14,3)27)18(16)30-20(24)25-9-10-28-19(21)25/h14-20,27H,4-12H2,1-3H3 |
| InChI Key | ZVGHBOHWOUTHNI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35NO5 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.25152322 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (4-Hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d27696b0-8631-11ee-b0f1-dffbc4a331b2.jpg "2D Structure of (4-Hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl) acetate")
| 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 | 97.06% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.97% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.58% | 82.69% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 94.84% | 95.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.63% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.51% | 96.38% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 89.32% | 94.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.91% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.89% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.58% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.17% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.32% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.25% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.85% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.75% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.53% | 92.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.82% | 92.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.66% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.60% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.34% | 97.28% |
| CHEMBL5028 | O14672 | ADAM10 | 83.33% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.28% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.09% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.63% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.54% | 94.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.33% | 98.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.87% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.45% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.36% | 90.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.10% | 97.50% |
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.
| Spiraea japonica |
| Thalictrum javanicum |
| PubChem | 14191508 |
| LOTUS | LTS0187793 |
| wikiData | Q105384276 |