[5,9,10,12-Tetrahydroxy-1,13-dimethyl-6,11-dioxo-3,4,6,7,8,9,10,11-octahydro-1H-7,10-(epoxymethano)anthra[2,3-c]pyran-3-yl]acetic acid
| Internal ID | a8927ab8-e499-47b3-bd58-2a3061665711 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-(1,5,12,19-tetrahydroxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4,6(11),12-tetraen-9-yl)acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H22O10/c1-6-13-9(3-8(31-6)4-12(24)25)18(26)15-16(19(13)27)21(29)17-14(20(15)28)10-5-11(23)22(17,30)7(2)32-10/h6-8,10-11,23,26-27,30H,3-5H2,1-2H3,(H,24,25) |
| InChI Key | GNTIHWMOJLHUNA-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | -0.10 |
| 63999-06-4 |
| [5,9,10,12-Tetrahydroxy-1,13-dimethyl-6,11-dioxo-3,4,6,7,8,9,10,11-octahydro-1H-7,10-(epoxymethano)anthra[2,3-c]pyran-3-yl]acetic acid |
![2D Structure of [5,9,10,12-Tetrahydroxy-1,13-dimethyl-6,11-dioxo-3,4,6,7,8,9,10,11-octahydro-1H-7,10-(epoxymethano)anthra[2,3-c]pyran-3-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1fc4a880-86fd-11ee-9412-394ee274a37e.jpg "2D Structure of [5,9,10,12-Tetrahydroxy-1,13-dimethyl-6,11-dioxo-3,4,6,7,8,9,10,11-octahydro-1H-7,10-(epoxymethano)anthra[2,3-c]pyran-3-yl]acetic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.43% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.83% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.60% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.74% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.64% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.62% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.21% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.77% | 96.37% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.65% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.85% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.84% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.74% | 98.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.17% | 90.00% |
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 | 162191 |
| LOTUS | LTS0079710 |
| wikiData | Q105013286 |