1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-4-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one
| Internal ID | f5cc7c4f-97db-4d94-899f-b82c7224db02 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | 1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-4-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=C(C=C3)O)O)CC(CC=C(C)C)C(=C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C[C@H](CC=C(C)C)C(=C)C)O)C |
| InChI | InChI=1S/C28H32O6/c1-14(2)7-9-17(16(5)6)13-20-23(30)18(10-8-15(3)4)24(31)22-25(32)19-11-12-21(29)26(33)28(19)34-27(20)22/h7-8,11-12,17,29-31,33H,5,9-10,13H2,1-4,6H3/t17-/m0/s1 |
| InChI Key | YEOSCZVSAGBLDS-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O6 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-4-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/9d9b74f0-85be-11ee-b24f-130ee998ef46.jpg "2D Structure of 1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)-4-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.30% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.24% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.40% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.18% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.61% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.17% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.50% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.05% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.39% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.79% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.39% | 98.11% |
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 monogynum |
| PubChem | 162982950 |
| LOTUS | LTS0171486 |
| wikiData | Q105347342 |