1-Hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-one
| Internal ID | 8a3d9d00-c46d-451b-ba31-245f94a0836f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | 1-hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-one |
| SMILES (Canonical) | CC1CCC2C(CCC23C(O3)(C4(C1CC5(CC(=O)C(C5C4)C(C)C)C)O)C)C |
| SMILES (Isomeric) | CC1CCC2C(CCC23C(O3)(C4(C1CC5(CC(=O)C(C5C4)C(C)C)C)O)C)C |
| InChI | InChI=1S/C25H40O3/c1-14(2)21-19-12-24(27)18(11-22(19,5)13-20(21)26)15(3)7-8-17-16(4)9-10-25(17)23(24,6)28-25/h14-19,21,27H,7-13H2,1-6H3 |
| InChI Key | CCWRAFQAZPWQJU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H40O3 |
| Molecular Weight | 388.60 g/mol |
| Exact Mass | 388.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 1-Hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/46c32340-8552-11ee-b0c6-f3a629863bd8.jpg "2D Structure of 1-Hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-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 | 98.63% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.73% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.32% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.66% | 95.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.62% | 96.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.09% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.73% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.53% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.48% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.33% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.06% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.74% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.08% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.31% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.38% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.00% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.01% | 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.
| Gentianella nitida |
| PubChem | 53463029 |
| LOTUS | LTS0128066 |
| wikiData | Q104953898 |