1,3,9-trihydroxy-8-methoxy-5a-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-10bH-indeno[2,1-b][1]benzofuran-6-one
| Internal ID | 7414ab2a-fa79-4f8b-9545-7beb238b8329 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | 1,3,9-trihydroxy-8-methoxy-5a-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-10bH-indeno[2,1-b][1]benzofuran-6-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC34C(C5=CC(=C(C=C5C3=O)OC)O)C6=C(C=C(C=C6O4)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC34C(C5=CC(=C(C=C5C3=O)OC)O)C6=C(C=C(C=C6O4)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C28H32O16/c1-8-19(32)21(34)23(36)26(41-8)40-7-16-20(33)22(35)24(37)27(42-16)44-28-18(17-13(31)3-9(29)4-15(17)43-28)10-5-12(30)14(39-2)6-11(10)25(28)38/h3-6,8,16,18-24,26-27,29-37H,7H2,1-2H3 |
| InChI Key | DXOKOFWCEQXYQM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O16 |
| Molecular Weight | 624.50 g/mol |
| Exact Mass | 624.16903493 g/mol |
| Topological Polar Surface Area (TPSA) | 255.00 Ų |
| XlogP | -2.10 |
| There are no found synonyms. |
![2D Structure of 1,3,9-trihydroxy-8-methoxy-5a-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-10bH-indeno[2,1-b][1]benzofuran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/4e0d2070-8631-11ee-8f68-c1ab6e81a55f.jpg "2D Structure of 1,3,9-trihydroxy-8-methoxy-5a-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-10bH-indeno[2,1-b][1]benzofuran-6-one")
| 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 | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.39% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.97% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.17% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.27% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.50% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.45% | 97.36% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.15% | 94.75% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.96% | 85.31% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.95% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.69% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.41% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.19% | 86.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.28% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.95% | 95.89% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.76% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.92% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.44% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Kaempferia parviflora |
| PubChem | 162898564 |
| LOTUS | LTS0192142 |
| wikiData | Q104991110 |