7,10-dimethoxy-2,2-dimethyl-8-pentyl-8,10-dihydro-7H-pyrano[4,3-h]chromen-6-ol
| Internal ID | c3565c43-cb8a-48ce-a1ae-f363fb8b27da |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 7-hydroxysteroids |
| IUPAC Name | 7,10-dimethoxy-2,2-dimethyl-8-pentyl-8,10-dihydro-7H-pyrano[4,3-h]chromen-6-ol |
| SMILES (Canonical) | CCCCCC1C(C2=C(C=C3C=CC(OC3=C2C(O1)OC)(C)C)O)OC |
| SMILES (Isomeric) | CCCCCC1C(C2=C(C=C3C=CC(OC3=C2C(O1)OC)(C)C)O)OC |
| InChI | InChI=1S/C21H30O5/c1-6-7-8-9-15-19(23-4)16-14(22)12-13-10-11-21(2,3)26-18(13)17(16)20(24-5)25-15/h10-12,15,19-20,22H,6-9H2,1-5H3 |
| InChI Key | HSPFKRKQHGQFJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O5 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.00 |
| AKOS040738000 |
![2D Structure of 7,10-dimethoxy-2,2-dimethyl-8-pentyl-8,10-dihydro-7H-pyrano[4,3-h]chromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/710-dimethoxy-22-dimethyl-8-pentyl-810-dihydro-7h-pyrano43-hchromen-6-ol.jpg "2D Structure of 7,10-dimethoxy-2,2-dimethyl-8-pentyl-8,10-dihydro-7H-pyrano[4,3-h]chromen-6-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 | 99.17% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.92% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.41% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.69% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.72% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.38% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.13% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.15% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.48% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.63% | 89.63% |
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 | 102571697 |
| LOTUS | LTS0103691 |
| wikiData | Q104168351 |