10-Hydroxy-11-(hydroxymethyl)-4,21-dimethyl-17-phenyl-19-prop-1-en-2-yl-6,8,12,16,18,22-hexaoxaheptacyclo[15.4.1.01,14.02,9.05,9.011,13.015,19]docosan-7-one
| Internal ID | 3decc9a6-4225-4fca-8051-f86e82f8de2e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | 10-hydroxy-11-(hydroxymethyl)-4,21-dimethyl-17-phenyl-19-prop-1-en-2-yl-6,8,12,16,18,22-hexaoxaheptacyclo[15.4.1.01,14.02,9.05,9.011,13.015,19]docosan-7-one |
| SMILES (Canonical) | CC1CC2C34C(CC5(C(C3C6C(O6)(C(C27C1OC(=O)O7)O)CO)OC(O5)(O4)C8=CC=CC=C8)C(=C)C)C |
| SMILES (Isomeric) | CC1CC2C34C(CC5(C(C3C6C(O6)(C(C27C1OC(=O)O7)O)CO)OC(O5)(O4)C8=CC=CC=C8)C(=C)C)C |
| InChI | InChI=1S/C28H32O9/c1-13(2)24-11-15(4)26-17-10-14(3)19-27(17,35-23(31)32-19)22(30)25(12-29)21(33-25)18(26)20(24)34-28(36-24,37-26)16-8-6-5-7-9-16/h5-9,14-15,17-22,29-30H,1,10-12H2,2-4H3 |
| InChI Key | YQZHTIMCZCHPNJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O9 |
| Molecular Weight | 512.50 g/mol |
| Exact Mass | 512.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-11-(hydroxymethyl)-4,21-dimethyl-17-phenyl-19-prop-1-en-2-yl-6,8,12,16,18,22-hexaoxaheptacyclo[15.4.1.01,14.02,9.05,9.011,13.015,19]docosan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6e749da0-8643-11ee-8869-27edeffc93e1.jpg "2D Structure of 10-Hydroxy-11-(hydroxymethyl)-4,21-dimethyl-17-phenyl-19-prop-1-en-2-yl-6,8,12,16,18,22-hexaoxaheptacyclo[15.4.1.01,14.02,9.05,9.011,13.015,19]docosan-7-one")
| 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 | 97.94% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.88% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.80% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.10% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.73% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.21% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.29% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.14% | 96.61% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.44% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.04% | 94.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.23% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.09% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.63% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.47% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.71% | 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.
| Daphne genkwa |
| PubChem | 75239076 |
| LOTUS | LTS0240574 |
| wikiData | Q105352671 |