[14-Hydroxy-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] acetate
| Internal ID | 7bbd300f-6475-4c2b-a9ce-b44ecab0de64 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [14-hydroxy-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] acetate |
| SMILES (Canonical) | CC(=CCCC1(C(CCC2(C1C(CC3C2(C4=C(C3)C5=CC=CC=C5N4)C)O)C)OC(=O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC1(C(CCC2(C1C(CC3C2(C4=C(C3)C5=CC=CC=C5N4)C)O)C)OC(=O)C)C)C |
| InChI | InChI=1S/C30H41NO3/c1-18(2)10-9-14-28(4)25(34-19(3)32)13-15-29(5)26(28)24(33)17-20-16-22-21-11-7-8-12-23(21)31-27(22)30(20,29)6/h7-8,10-12,20,24-26,31,33H,9,13-17H2,1-6H3 |
| InChI Key | HITQLOOAHMTOMZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H41NO3 |
| Molecular Weight | 463.70 g/mol |
| Exact Mass | 463.30864417 g/mol |
| Topological Polar Surface Area (TPSA) | 62.30 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [14-Hydroxy-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/262a8430-865b-11ee-a5a9-bf8fc74d3398.jpg "2D Structure of [14-Hydroxy-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.13% | 94.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 94.63% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.36% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.04% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.20% | 94.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.56% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.05% | 98.59% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.49% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 85.89% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.54% | 89.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.69% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.22% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.89% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.39% | 88.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.32% | 100.00% |
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 | 163053641 |
| LOTUS | LTS0229450 |
| wikiData | Q104167902 |