1',3-dihydroxy-3,7-dimethylspiro[2,3a,4,6-tetrahydro-1H-indene-5,3'-6-oxabicyclo[3.2.1]octane]-2',4'-dione
| Internal ID | 0151b45b-abff-400e-b8b2-12fe0e5fbbf6 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 1',3-dihydroxy-3,7-dimethylspiro[2,3a,4,6-tetrahydro-1H-indene-5,3'-6-oxabicyclo[3.2.1]octane]-2',4'-dione |
| SMILES (Canonical) | CC1=C2CCC(C2CC3(C1)C(=O)C4CC(C3=O)(CO4)O)(C)O |
| SMILES (Isomeric) | CC1=C2CCC(C2CC3(C1)C(=O)C4CC(C3=O)(CO4)O)(C)O |
| InChI | InChI=1S/C17H22O5/c1-9-5-16(6-11-10(9)3-4-15(11,2)20)13(18)12-7-17(21,8-22-12)14(16)19/h11-12,20-21H,3-8H2,1-2H3 |
| InChI Key | FUHJNJAAVSURSB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 1',3-dihydroxy-3,7-dimethylspiro[2,3a,4,6-tetrahydro-1H-indene-5,3'-6-oxabicyclo[3.2.1]octane]-2',4'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3cde8050-867e-11ee-9c89-7d9d21286a87.jpg "2D Structure of 1',3-dihydroxy-3,7-dimethylspiro[2,3a,4,6-tetrahydro-1H-indene-5,3'-6-oxabicyclo[3.2.1]octane]-2',4'-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.11% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.01% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.52% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.77% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.72% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.58% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.59% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.88% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.05% | 94.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.52% | 89.63% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.74% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.67% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 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.
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| There are no matching plants. |
| PubChem | 163080950 |
| LOTUS | LTS0201388 |
| wikiData | Q104166786 |