3'-Hydroxy-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 | 1d8fb86f-e7f5-41a7-a1de-77e569bace68 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 3'-hydroxy-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) | CC1C2CCC3(C2(C=CC4C3=CC(=O)C5=CC(=O)CCC45C)C)OC16C(C(C(O6)(C)C)C)O |
| SMILES (Isomeric) | CC1C2CCC3(C2(C=CC4C3=CC(=O)C5=CC(=O)CCC45C)C)OC16C(C(C(O6)(C)C)C)O |
| InChI | InChI=1S/C28H36O5/c1-15-18-9-12-27(33-28(15)23(31)16(2)24(3,4)32-28)20-14-22(30)21-13-17(29)7-10-25(21,5)19(20)8-11-26(18,27)6/h8,11,13-16,18-19,23,31H,7,9-10,12H2,1-6H3 |
| InChI Key | IXEQCBQJCGQVRZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H36O5 |
| Molecular Weight | 452.60 g/mol |
| Exact Mass | 452.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3'-Hydroxy-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/d5fe4650-8730-11ee-8153-235b5cb36bc1.jpg "2D Structure of 3'-Hydroxy-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.78% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.83% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.53% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.76% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.34% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.94% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.40% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.60% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.07% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.81% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.99% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.13% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.82% | 97.14% |
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 | 163104487 |
| LOTUS | LTS0205968 |
| wikiData | Q105122106 |