(13-Acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl 4-methoxybenzoate
| Internal ID | 5ae20990-f07c-413e-ac7c-3e2dcf691d69 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
| IUPAC Name | (13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl 4-methoxybenzoate |
| SMILES (Canonical) | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C5=CC=C(C=C5)OC)O)C)O)OC(=O)C |
| SMILES (Isomeric) | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C5=CC=C(C=C5)OC)O)C)O)OC(=O)C |
| InChI | InChI=1S/C30H36O8/c1-16-11-23-28(34,25(16)32)14-19(15-37-26(33)20-7-9-21(36-6)10-8-20)12-22-24-27(4,5)29(24,38-18(3)31)13-17(2)30(22,23)35/h7-12,17,22-24,34-35H,13-15H2,1-6H3 |
| InChI Key | VZTYCOZKQWHNRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O8 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (13-Acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/e27090b0-85a5-11ee-8ccd-db4613c369e2.jpg "2D Structure of (13-Acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl 4-methoxybenzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.40% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.26% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.64% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.22% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.62% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.32% | 91.07% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.23% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.55% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.57% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.02% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.17% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.89% | 97.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.54% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.47% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.73% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.27% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.28% | 99.23% |
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.
| Euphorbia cornigera |
| PubChem | 56657424 |
| LOTUS | LTS0230902 |
| wikiData | Q105299991 |