(2,4,11-Trihydroxy-1,5,9,12,12-pentamethyl-8-oxo-7-tetracyclo[7.6.0.03,7.010,13]pentadecanyl) 3-phenylprop-2-enoate
| Internal ID | 57a22270-06fd-4ed6-8994-62b1c12ae274 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
| IUPAC Name | (2,4,11-trihydroxy-1,5,9,12,12-pentamethyl-8-oxo-7-tetracyclo[7.6.0.03,7.010,13]pentadecanyl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1CC2(C(C1O)C(C3(CCC4C(C3(C2=O)C)C(C4(C)C)O)C)O)OC(=O)C=CC5=CC=CC=C5 |
| SMILES (Isomeric) | CC1CC2(C(C1O)C(C3(CCC4C(C3(C2=O)C)C(C4(C)C)O)C)O)OC(=O)C=CC5=CC=CC=C5 |
| InChI | InChI=1S/C29H38O6/c1-16-15-29(35-19(30)12-11-17-9-7-6-8-10-17)21(22(16)31)24(33)27(4)14-13-18-20(23(32)26(18,2)3)28(27,5)25(29)34/h6-12,16,18,20-24,31-33H,13-15H2,1-5H3 |
| InChI Key | GYAAJCZJHMMJNM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38O6 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2,4,11-Trihydroxy-1,5,9,12,12-pentamethyl-8-oxo-7-tetracyclo[7.6.0.03,7.010,13]pentadecanyl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/321459e0-87a6-11ee-8005-2774b27f6258.jpg "2D Structure of (2,4,11-Trihydroxy-1,5,9,12,12-pentamethyl-8-oxo-7-tetracyclo[7.6.0.03,7.010,13]pentadecanyl) 3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.80% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.29% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.27% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.13% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.90% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.24% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.61% | 96.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.79% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.85% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.49% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.47% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.46% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.16% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.74% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.58% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.63% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.63% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.58% | 93.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.11% | 90.00% |
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 micractina |
| PubChem | 162914145 |
| LOTUS | LTS0079240 |
| wikiData | Q105023486 |