(10,11-Diacetyloxy-6,12,16-trimethyl-2-methylidene-8-tricyclo[7.5.2.012,15]hexadec-9(16)-enyl) acetate
| Internal ID | b9353f4b-a32b-46ef-8005-6ef41f6cd671 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (10,11-diacetyloxy-6,12,16-trimethyl-2-methylidene-8-tricyclo[7.5.2.012,15]hexadec-9(16)-enyl) acetate |
| SMILES (Canonical) | CC1CCCC(=C)C2CCC3(C2C(=C(C(C1)OC(=O)C)C(C3OC(=O)C)OC(=O)C)C)C |
| SMILES (Isomeric) | CC1CCCC(=C)C2CCC3(C2C(=C(C(C1)OC(=O)C)C(C3OC(=O)C)OC(=O)C)C)C |
| InChI | InChI=1S/C26H38O6/c1-14-9-8-10-15(2)20-11-12-26(7)23(20)16(3)22(21(13-14)30-17(4)27)24(31-18(5)28)25(26)32-19(6)29/h14,20-21,23-25H,2,8-13H2,1,3-7H3 |
| InChI Key | UCSMNCFKDHLLNT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O6 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (10,11-Diacetyloxy-6,12,16-trimethyl-2-methylidene-8-tricyclo[7.5.2.012,15]hexadec-9(16)-enyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e8cb2580-82c3-11ee-b2a5-c9426baaf4d7.jpg "2D Structure of (10,11-Diacetyloxy-6,12,16-trimethyl-2-methylidene-8-tricyclo[7.5.2.012,15]hexadec-9(16)-enyl) acetate")
| 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 | 98.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.17% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.74% | 96.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.24% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.51% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.93% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.92% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.16% | 93.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.03% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.98% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.68% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.91% | 98.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.78% | 97.79% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.31% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.81% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.71% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.14% | 92.94% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163074837 |
| LOTUS | LTS0071548 |
| wikiData | Q105270107 |