(1S,4S,6S,8R,9S,11R)-6-(furan-3-yl)-11-hydroxy-4,8-dimethyl-5,15-dioxatetracyclo[7.7.0.01,13.04,8]hexadec-12-en-14-one
| Internal ID | 3dbb04a4-72dc-49e2-8c24-b250cf6f1411 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1S,4S,6S,8R,9S,11R)-6-(furan-3-yl)-11-hydroxy-4,8-dimethyl-5,15-dioxatetracyclo[7.7.0.01,13.04,8]hexadec-12-en-14-one |
| SMILES (Canonical) | CC12CCC34COC(=O)C3=CC(CC4C1(CC(O2)C5=COC=C5)C)O |
| SMILES (Isomeric) | C[C@]12CC[C@@]34COC(=O)C3=C[C@@H](C[C@@H]4[C@]1(C[C@H](O2)C5=COC=C5)C)O |
| InChI | InChI=1S/C20H24O5/c1-18-9-15(12-3-6-23-10-12)25-19(18,2)4-5-20-11-24-17(22)14(20)7-13(21)8-16(18)20/h3,6-7,10,13,15-16,21H,4-5,8-9,11H2,1-2H3/t13-,15-,16+,18+,19-,20+/m0/s1 |
| InChI Key | NGOVWADMNNYPDU-CYCKGHESSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 68.90 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1S,4S,6S,8R,9S,11R)-6-(furan-3-yl)-11-hydroxy-4,8-dimethyl-5,15-dioxatetracyclo[7.7.0.01,13.04,8]hexadec-12-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/a14743c0-8593-11ee-9f72-bd140269b2ae.jpg "2D Structure of (1S,4S,6S,8R,9S,11R)-6-(furan-3-yl)-11-hydroxy-4,8-dimethyl-5,15-dioxatetracyclo[7.7.0.01,13.04,8]hexadec-12-en-14-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 | 97.65% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.55% | 89.63% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.48% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.82% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.24% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.66% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.32% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.57% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.95% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.28% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.91% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.95% | 89.00% |
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.
| Salvia splendens |
| PubChem | 162975323 |
| LOTUS | LTS0149071 |
| wikiData | Q105179055 |