1-[14-Hydroxy-15-(hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone
| Internal ID | f75771cc-bf37-49c8-a324-837a1302e277 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 1-[14-hydroxy-15-(hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone |
| SMILES (Canonical) | CC(=O)C1(C2CCC3C4(CCCC(C4CCC3(C2)C1CO)(C)C)C)O |
| SMILES (Isomeric) | CC(=O)C1(C2CCC3C4(CCCC(C4CCC3(C2)C1CO)(C)C)C)O |
| InChI | InChI=1S/C22H36O3/c1-14(24)22(25)15-6-7-17-20(4)10-5-9-19(2,3)16(20)8-11-21(17,12-15)18(22)13-23/h15-18,23,25H,5-13H2,1-4H3 |
| InChI Key | ZHQBBLCLYQVUIP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O3 |
| Molecular Weight | 348.50 g/mol |
| Exact Mass | 348.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 1-[14-Hydroxy-15-(hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/4f38ca20-86a2-11ee-895f-832a26884690.jpg "2D Structure of 1-[14-Hydroxy-15-(hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethanone")
| 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 | 96.11% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.42% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.82% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.72% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.56% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.39% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.20% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.96% | 97.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.30% | 97.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.69% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.99% | 91.19% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.26% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.63% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.07% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.94% | 96.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.60% | 99.35% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.25% | 91.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.14% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.51% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.03% | 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.
| Cryptomeria japonica |
| PubChem | 163015295 |
| LOTUS | LTS0170569 |
| wikiData | Q105375928 |