(1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9-triol
| Internal ID | 2898141a-2fc1-4378-8b26-a8862feacf32 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9-triol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)CO3)O)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)CO3)O)O)O |
| InChI | InChI=1S/C20H28O4/c1-10(2)11-8-12-13(15(22)14(11)21)20-7-5-6-19(3,4)18(20)16(23)17(12)24-9-20/h8,10,16-18,21-23H,5-7,9H2,1-4H3/t16-,17+,18-,20-/m0/s1 |
| InChI Key | XXQLUHIXNZKHDC-DMUMMCEESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9-triol](https://plantaedb.com/storage/docs/compounds/2023/11/233b9cd0-859f-11ee-9e0d-675d70fd0e0c.jpg "2D Structure of (1R,8R,9R,10S)-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4,9-triol")
| 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 | 99.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.23% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.80% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.65% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.48% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.01% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.75% | 96.77% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.50% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.96% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.72% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.43% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.71% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.17% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.58% | 86.33% |
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.
| Premna serratifolia |
| PubChem | 56970844 |
| LOTUS | LTS0128981 |
| wikiData | Q105344159 |