3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
| Internal ID | 709c5d6a-387c-445c-8b29-299b2cadf9a6 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | 3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34O13/c1-8-18(30)17-12(27(19(8)31)40-15-7-14(29)21(33)10(3)39-15)5-11-6-13(22(34)24(36)16(11)23(17)35)26(38-4)25(37)20(32)9(2)28/h5,9-10,13-15,20-22,26,28-35H,6-7H2,1-4H3/t9?,10-,13?,14-,15?,20?,21-,22?,26?/m0/s1 |
| InChI Key | XDXHDDZVZHSRTQ-PTVXLIRWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34O13 |
| Molecular Weight | 566.50 g/mol |
| Exact Mass | 566.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/a8c599b0-82bf-11ee-8adf-61149fec115c.jpg "2D Structure of 3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-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 | 99.07% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.92% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.73% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.26% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.98% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.31% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.05% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.67% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.20% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.17% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.51% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.40% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.06% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.69% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.76% | 95.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.07% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.08% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.04% | 95.62% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.23% | 83.10% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.13% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.02% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.98% | 95.50% |
| CHEMBL5314 | Q06418 | Tyrosine-protein kinase receptor TYRO3 | 80.12% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 139586466 |
| LOTUS | LTS0013779 |
| wikiData | Q105326113 |