[13-Acetyloxy-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-15-yl] deca-2,4-dienoate
| Internal ID | 970108d5-6682-48a7-b945-c3bb157eed0b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [13-acetyloxy-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-15-yl] deca-2,4-dienoate |
| SMILES (Canonical) | CCCCCC=CC=CC(=O)OC1C2C3C(O3)(C(C4(C(C2(C(C(C1(C(=C)C)O)OC(=O)C)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)C)C)O)C=C(C4=O)C)O)O)CO |
| InChI | InChI=1S/C32H44O11/c1-7-8-9-10-11-12-13-14-22(35)42-27-23-26-29(16-33,43-26)28(37)32(40)21(15-18(4)24(32)36)31(23,39)19(5)25(41-20(6)34)30(27,38)17(2)3/h11-15,19,21,23,25-28,33,37-40H,2,7-10,16H2,1,3-6H3 |
| InChI Key | OHDFEAPOLLGWDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O11 |
| Molecular Weight | 604.70 g/mol |
| Exact Mass | 604.28836222 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [13-Acetyloxy-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-15-yl] deca-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/4556ccd0-8606-11ee-96a5-f745d88ebae1.jpg "2D Structure of [13-Acetyloxy-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-15-yl] deca-2,4-dienoate")
| 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 | 96.03% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.66% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.89% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.81% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.22% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.90% | 96.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.88% | 96.90% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.11% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.64% | 96.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 89.62% | 92.32% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.99% | 89.34% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.30% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.17% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.64% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.94% | 91.19% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.79% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.15% | 83.82% |
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 genkwa |
| PubChem | 75216381 |
| LOTUS | LTS0191954 |
| wikiData | Q105192014 |