(1S,2R,4R,7S,10R)-2,7,10,13-tetramethyl-7-propan-2-yl-3,16-dioxatetracyclo[8.5.1.01,12.02,4]hexadec-12-ene-6,9,14-trione
| Internal ID | a3a59548-224d-4faf-a218-51e2306ca07e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,2R,4R,7S,10R)-2,7,10,13-tetramethyl-7-propan-2-yl-3,16-dioxatetracyclo[8.5.1.01,12.02,4]hexadec-12-ene-6,9,14-trione |
| SMILES (Canonical) | CC1=C2CC3(C(=O)CC(C(=O)CC4C(C2(O3)CC1=O)(O4)C)(C)C(C)C)C |
| SMILES (Isomeric) | CC1=C2C[C@@]3(C(=O)C[C@@](C(=O)C[C@@H]4[C@]([C@]2(O3)CC1=O)(O4)C)(C)C(C)C)C |
| InChI | InChI=1S/C21H28O5/c1-11(2)18(4)10-16(24)19(5)8-13-12(3)14(22)9-21(13,26-19)20(6)17(25-20)7-15(18)23/h11,17H,7-10H2,1-6H3/t17-,18+,19-,20-,21+/m1/s1 |
| InChI Key | LCFNFKSEMKMHIU-XNTOXWQXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H28O5 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 73.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1S,2R,4R,7S,10R)-2,7,10,13-tetramethyl-7-propan-2-yl-3,16-dioxatetracyclo[8.5.1.01,12.02,4]hexadec-12-ene-6,9,14-trione](https://plantaedb.com/storage/docs/compounds/2023/11/d69ea980-8577-11ee-8759-1f39589f9adb.jpg "2D Structure of (1S,2R,4R,7S,10R)-2,7,10,13-tetramethyl-7-propan-2-yl-3,16-dioxatetracyclo[8.5.1.01,12.02,4]hexadec-12-ene-6,9,14-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.97% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.08% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.80% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.54% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.64% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.21% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.18% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.55% | 85.30% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.33% | 93.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.88% | 97.14% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.71% | 88.81% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.02% | 94.75% |
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.
| There are no matching plants. |
| PubChem | 101883760 |
| LOTUS | LTS0201441 |
| wikiData | Q105149796 |