10-[[(1S,2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]-6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
| Internal ID | ef057b54-80d4-4364-b169-1c013e618ec4 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 10-[[(1S,2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]-6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)OC5C(OC6=C5C7=C(C(=C6)O)C(=O)C8=C(O7)C(=CC=C8)O)C(C)(C)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O[C@@H]5[C@H](OC6=C5C7=C(C(=C6)O)C(=O)C8=C(O7)C(=CC=C8)O)C(C)(C)O)O)C |
| InChI | InChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m0/s1 |
| InChI Key | PESVSEKBWYZQFT-HEVIKAOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H28O12 |
| Molecular Weight | 652.60 g/mol |
| Exact Mass | 652.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 10-[[(1S,2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]-6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/9d963350-8570-11ee-bd0f-638516041a00.jpg "2D Structure of 10-[[(1S,2S)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]-6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-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 | 98.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.94% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.49% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.87% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.64% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.81% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.20% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.78% | 93.99% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.86% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.51% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.31% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.61% | 93.31% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.68% | 80.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.16% | 94.75% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.06% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.01% | 97.14% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.96% | 97.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.72% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.16% | 99.15% |
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.
| Hypericum japonicum |
| PubChem | 162973469 |
| LOTUS | LTS0131999 |
| wikiData | Q105207327 |