3',11-Dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,12-triene-17,2'-oxolane]-4,7-dione
| Internal ID | e24eceda-3f57-4e33-9298-c0d0d14e4725 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 3',11-dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,12-triene-17,2'-oxolane]-4,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H36O6/c1-15-18-8-10-27(34-28(15)22(31)16(2)23(3,4)33-28)21-14-20(30)19-13-17(29)7-9-24(19,5)26(21,32)12-11-25(18,27)6/h11-16,18,22,31-32H,7-10H2,1-6H3 |
| InChI Key | FIPQOHZMDJGHRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O6 |
| Molecular Weight | 468.60 g/mol |
| Exact Mass | 468.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 3',11-Dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,12-triene-17,2'-oxolane]-4,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c530a730-875a-11ee-8663-9db0a8a2fc07.jpg "2D Structure of 3',11-Dihydroxy-4',5',5',10,14,16-hexamethylspiro[18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosa-2,5,12-triene-17,2'-oxolane]-4,7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.98% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.24% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.80% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.41% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.11% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.55% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.23% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.33% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.80% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.80% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.36% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.82% | 90.71% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.43% | 94.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.22% | 94.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.74% | 96.77% |
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.
| There are no matching plants. |
| PubChem | 76525140 |
| LOTUS | LTS0079371 |
| wikiData | Q103819036 |