[15-Deca-2,4-dienoyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-13-yl] benzoate
| Internal ID | 2f128547-e559-40b0-b06a-b1f00ce875af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [15-deca-2,4-dienoyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-13-yl] benzoate |
| SMILES (Canonical) | CCCCCC=CC=CC(=O)OC1C2C3C(O3)(C(C4(C(C2(C(C(C1(C(=C)C)O)OC(=O)C5=CC=CC=C5)C)O)C=C(C4=O)C)O)O)CO |
| SMILES (Isomeric) | CCCCCC=CC=CC(=O)OC1C2C3C(O3)(C(C4(C(C2(C(C(C1(C(=C)C)O)OC(=O)C5=CC=CC=C5)C)O)C=C(C4=O)C)O)O)CO |
| InChI | InChI=1S/C37H46O11/c1-6-7-8-9-10-11-15-18-26(39)46-31-27-30-34(20-38,48-30)33(42)37(45)25(19-22(4)28(37)40)36(27,44)23(5)29(35(31,43)21(2)3)47-32(41)24-16-13-12-14-17-24/h10-19,23,25,27,29-31,33,38,42-45H,2,6-9,20H2,1,3-5H3 |
| InChI Key | CVBJNFGURGOCOF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H46O11 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.30401228 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of [15-Deca-2,4-dienoyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-13-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/04ed99c0-84aa-11ee-984e-05dfc36a58a6.jpg "2D Structure of [15-Deca-2,4-dienoyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-13-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.27% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.69% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.48% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.77% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.76% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.31% | 96.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.00% | 83.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.05% | 96.90% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.83% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.83% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.53% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.05% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.44% | 97.79% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.37% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.87% | 92.32% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.59% | 87.67% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.49% | 91.71% |
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.
| Daphne odora |
| PubChem | 75216382 |
| LOTUS | LTS0172273 |
| wikiData | Q104970647 |