(5,6,7,8,9-Pentahydroxy-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl)methyl deca-2,4,6-trienoate
| Internal ID | dc3d66f3-54be-46b7-a48f-aa6c11923287 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | (5,6,7,8,9-pentahydroxy-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl)methyl deca-2,4,6-trienoate |
| SMILES (Canonical) | CCCC=CC=CC=CC(=O)OCC1(C(C2C3C4(CC(C2(C5CC(C(C5(C1O)O)O)C)OC(O3)(O4)C6=CC=CC=C6)C)C(=C)C)O)O |
| SMILES (Isomeric) | CCCC=CC=CC=CC(=O)OCC1(C(C2C3C4(CC(C2(C5CC(C(C5(C1O)O)O)C)OC(O3)(O4)C6=CC=CC=C6)C)C(=C)C)O)O |
| InChI | InChI=1S/C37H48O10/c1-6-7-8-9-10-11-15-18-27(38)44-21-33(42)30(40)28-31-34(22(2)3)20-24(5)36(28,26-19-23(4)29(39)35(26,43)32(33)41)47-37(45-31,46-34)25-16-13-12-14-17-25/h8-18,23-24,26,28-32,39-43H,2,6-7,19-21H2,1,3-5H3 |
| InChI Key | HGYCSHGYYIOROD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H48O10 |
| Molecular Weight | 652.80 g/mol |
| Exact Mass | 652.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (5,6,7,8,9-Pentahydroxy-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl)methyl deca-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/9c311fe0-845e-11ee-a42a-732582ee0037.jpg "2D Structure of (5,6,7,8,9-Pentahydroxy-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl)methyl 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.34% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.05% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.53% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.61% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.95% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.46% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.79% | 82.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.23% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.03% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.06% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.05% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.01% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.57% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.85% | 99.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.69% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.58% | 97.09% |
| CHEMBL5028 | O14672 | ADAM10 | 81.55% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.38% | 91.19% |
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 | 162851180 |
| LOTUS | LTS0209748 |
| wikiData | Q105028073 |