1,15-dihydroxy-9-(hydroxymethyl)-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,14-dimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-18-en-5-one
| Internal ID | 44fc0209-16bc-4680-885c-c5ad78d3a370 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 1,15-dihydroxy-9-(hydroxymethyl)-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,14-dimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-18-en-5-one |
| SMILES (Canonical) | CC1=CC(OC1=O)C(C(C)C2CC(C3(C2=CCC4(C3CCC5C(OC6C5(C4)OC(=O)C6)(C)CO)O)C)O)O |
| SMILES (Isomeric) | CC1=CC(OC1=O)C(C(C)C2CC(C3(C2=CCC4(C3CCC5C(OC6C5(C4)OC(=O)C6)(C)CO)O)C)O)O |
| InChI | InChI=1S/C29H40O9/c1-14-9-18(36-25(14)34)24(33)15(2)16-10-21(31)27(4)17(16)7-8-28(35)12-29-19(5-6-20(27)28)26(3,13-30)37-22(29)11-23(32)38-29/h7,9,15-16,18-22,24,30-31,33,35H,5-6,8,10-13H2,1-4H3 |
| InChI Key | HVIAOXIDDIWHRB-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) | 143.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 1,15-dihydroxy-9-(hydroxymethyl)-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,14-dimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-18-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/903a6100-8473-11ee-8071-f18c6cb4c6f0.jpg "2D Structure of 1,15-dihydroxy-9-(hydroxymethyl)-17-[1-hydroxy-1-(4-methyl-5-oxo-2H-furan-2-yl)propan-2-yl]-9,14-dimethyl-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icos-18-en-5-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.16% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.85% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.18% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.85% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.17% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.99% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.68% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.18% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.16% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.80% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.54% | 98.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.90% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.49% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.24% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.19% | 93.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.54% | 86.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.06% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.64% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.44% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.19% | 90.17% |
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.
| Kadsura coccinea |
| PubChem | 75304898 |
| LOTUS | LTS0109353 |
| wikiData | Q105034269 |