(1R,2R,3R,5S,7S,8R,11R,15S)-5-(furan-3-yl)-2,3,15-trimethyl-4,6,9-trioxapentacyclo[6.6.1.12,5.03,7.011,15]hexadecan-10-one
| Internal ID | 2979b9e6-1a92-49ce-bbb8-97e6fa92b73d |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,2R,3R,5S,7S,8R,11R,15S)-5-(furan-3-yl)-2,3,15-trimethyl-4,6,9-trioxapentacyclo[6.6.1.12,5.03,7.011,15]hexadecan-10-one |
| SMILES (Canonical) | CC12CC3(OC(C1(O3)C)C4C5(C2CCCC5C(=O)O4)C)C6=COC=C6 |
| SMILES (Isomeric) | C[C@]12C[C@@]3(O[C@H]([C@@]1(O3)C)[C@H]4[C@]5([C@H]2CCC[C@H]5C(=O)O4)C)C6=COC=C6 |
| InChI | InChI=1S/C20H24O5/c1-17-10-20(11-7-8-22-9-11)24-15(19(17,3)25-20)14-18(2)12(16(21)23-14)5-4-6-13(17)18/h7-9,12-15H,4-6,10H2,1-3H3/t12-,13-,14-,15-,17+,18+,19-,20-/m0/s1 |
| InChI Key | PAKAQZBLQGAKPE-VGPHXRICSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 57.90 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3R,5S,7S,8R,11R,15S)-5-(furan-3-yl)-2,3,15-trimethyl-4,6,9-trioxapentacyclo[6.6.1.12,5.03,7.011,15]hexadecan-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/268e1bf0-86c8-11ee-94c9-25477aa3cdb6.jpg "2D Structure of (1R,2R,3R,5S,7S,8R,11R,15S)-5-(furan-3-yl)-2,3,15-trimethyl-4,6,9-trioxapentacyclo[6.6.1.12,5.03,7.011,15]hexadecan-10-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.75% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.83% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.34% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.47% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.84% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.34% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.05% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.04% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.90% | 94.80% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.84% | 92.97% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.75% | 93.04% |
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.
| Adelanthus lindenbergianus |
| PubChem | 163105470 |
| LOTUS | LTS0180398 |
| wikiData | Q105204567 |