(1R,2R,6R,7R,8S,11S)-2,6,8-trihydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-ene-12,14-dione
| Internal ID | 8bc047de-84f4-49ee-b3b2-a35f8b81dd39 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,2R,6R,7R,8S,11S)-2,6,8-trihydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-ene-12,14-dione |
| SMILES (Canonical) | CC1CCC2(C3(CC(=O)OC2(C1=O)C4(C3(CC(=C4C)C(C)C)O)O)C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@@]3(CC(=O)O[C@@]2(C1=O)[C@@]4([C@]3(CC(=C4C)C(C)C)O)O)C)O |
| InChI | InChI=1S/C20H28O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,23-25H,6-9H2,1-5H3/t11-,16-,17-,18+,19+,20+/m0/s1 |
| InChI Key | UKRWFVKYGNPCSU-YYJBFAQLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (1R,2R,6R,7R,8S,11S)-2,6,8-trihydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-ene-12,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d464e5e0-8594-11ee-aec6-273d79ed1b35.jpg "2D Structure of (1R,2R,6R,7R,8S,11S)-2,6,8-trihydroxy-3,7,11-trimethyl-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-ene-12,14-dione")
| 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 | 97.26% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.36% | 96.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.27% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.41% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.38% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.14% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.77% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.10% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.95% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.48% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.12% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.21% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.77% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.67% | 90.08% |
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.
| Persea indica |
| PubChem | 637209 |
| LOTUS | LTS0121450 |
| wikiData | Q105274850 |