(1R,2R,7S,10R,11S,14R,15S,16S,19R)-10,14-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-ol
| Internal ID | 9aa25a13-160f-4edd-91fe-1bfc895cca42 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,2R,7S,10R,11S,14R,15S,16S,19R)-10,14-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-ol |
| SMILES (Canonical) | CC12CCC(CC1=CCC3C2CCC4(C35OC6C4C(O5)OC6)C)O |
| SMILES (Isomeric) | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@@]35O[C@@H]6[C@H]4[C@H](O5)OC6)C)O |
| InChI | InChI=1S/C20H28O4/c1-18-7-5-12(21)9-11(18)3-4-14-13(18)6-8-19(2)16-15-10-22-17(16)24-20(14,19)23-15/h3,12-17,21H,4-10H2,1-2H3/t12-,13-,14+,15-,16-,17-,18-,19+,20+/m0/s1 |
| InChI Key | KWEMAESKHBYHON-IJLBYXBLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R,2R,7S,10R,11S,14R,15S,16S,19R)-10,14-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7b7cb840-85a4-11ee-869e-876fd93ca14c.jpg "2D Structure of (1R,2R,7S,10R,11S,14R,15S,16S,19R)-10,14-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-ol")
| 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 | 93.59% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.50% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.27% | 96.43% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.42% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.18% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.99% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.96% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.57% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.68% | 94.75% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.03% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.83% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.96% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.82% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.52% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.13% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.88% | 89.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.71% | 95.93% |
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.
| Mandevilla illustris |
| PubChem | 163089891 |
| LOTUS | LTS0085006 |
| wikiData | Q105146888 |