1,15-dihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.016,18]icosane-5,14-dione
| Internal ID | bff72b19-749b-40a4-99c9-100e900926e1 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 1,15-dihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.016,18]icosane-5,14-dione |
| SMILES (Canonical) | CC1=CC(OC1=O)C(C(C)C2C3C2(CCC4(CC56C(CCC4C(=O)C3O)C(OC5CC(=O)O6)(C)C)O)C)O |
| SMILES (Isomeric) | CC1=CC(OC1=O)C(C(C)C2C3C2(CCC4(CC56C(CCC4C(=O)C3O)C(OC5CC(=O)O6)(C)C)O)C)O |
| InChI | InChI=1S/C29H40O9/c1-13-10-16(36-25(13)34)22(31)14(2)20-21-24(33)23(32)15-6-7-17-26(3,4)37-18-11-19(30)38-29(17,18)12-28(15,35)9-8-27(20,21)5/h10,14-18,20-22,24,31,33,35H,6-9,11-12H2,1-5H3 |
| InChI Key | ZYIRQQCRXRFTJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O9 |
| Molecular Weight | 532.60 g/mol |
| Exact Mass | 532.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 1,15-dihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.016,18]icosane-5,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c046f0a0-864d-11ee-bcd1-3d6059f1c729.jpg "2D Structure of 1,15-dihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.016,18]icosane-5,14-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.13% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.35% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.11% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.25% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.56% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.69% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.51% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.35% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.15% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.07% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.71% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.51% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.95% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.73% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.31% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.96% | 96.61% |
| CHEMBL5028 | O14672 | ADAM10 | 80.40% | 97.50% |
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.
| Schisandra propinqua |
| PubChem | 75167128 |
| LOTUS | LTS0198834 |
| wikiData | Q105386189 |