[13-Acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate
| Internal ID | 2ae129c0-bbec-423b-a266-5b45092e79ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids |
| IUPAC Name | [13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate |
| SMILES (Canonical) | CCCC=CC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C)CO)C)O)C |
| SMILES (Isomeric) | CCCC=CC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C)CO)C)O)C |
| InChI | InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-26(35)38-29-20(3)31(37)24-15-19(2)27(36)23(24)16-22(18-33)17-25(31)28-30(5,6)32(28,29)39-21(4)34/h9-15,17,20,23-25,28-29,33,37H,7-8,16,18H2,1-6H3 |
| InChI Key | CEHHYMNJOMXHKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H42O7 |
| Molecular Weight | 538.70 g/mol |
| Exact Mass | 538.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [13-Acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/c7729930-85ef-11ee-9d6e-b77591cce44f.jpg "2D Structure of [13-Acetyloxy-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-2,4,6-trienoate")
| 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 | 97.96% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.06% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.56% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.95% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.64% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.52% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.39% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.39% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.93% | 95.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.73% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.33% | 97.09% |
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.
| Shirakiopsis indica |
| PubChem | 162991999 |
| LOTUS | LTS0080113 |
| wikiData | Q104955691 |