11,11-Dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-ol
| Internal ID | f56aa926-92ee-4690-855c-6584c6bad25a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-ol |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O |
| InChI | InChI=1S/C20H28O2/c1-12(2)13-8-14-15(9-16(13)21)20-7-5-6-19(3,4)18(20)10-17(14)22-11-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3 |
| InChI Key | VXBAHMXIACGHEE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 11,11-Dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1111-dimethyl-5-propan-2-yl-16-oxatetracyclo6620110027hexadeca-246-trien-4-ol.jpg "2D Structure of 11,11-Dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-ol")
| 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 | 99.12% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.58% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.33% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.72% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.77% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.48% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.17% | 95.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.31% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.57% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.42% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.73% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.16% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.47% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.73% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.31% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.21% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.14% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.81% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.15% | 99.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.10% | 92.94% |
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.
| Chamaecyparis lawsoniana |
| PubChem | 163016669 |
| LOTUS | LTS0209965 |
| wikiData | Q105298394 |