(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Internal ID | 0cb26bc4-60cc-44a0-b3fa-d234e470131e |
Taxonomy | Benzenoids > Anthracenes |
IUPAC Name | (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
SMILES (Canonical) | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO |
SMILES (Isomeric) | C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO |
InChI | InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19-,20-,21+/m1/s1 |
InChI Key | AFHJQYHRLPMKHU-RVVYYDBMSA-N |
Popularity | 286 references in papers |
Molecular Formula | C21H22O9 |
Molecular Weight | 418.40 g/mol |
Exact Mass | 418.12638228 g/mol |
Topological Polar Surface Area (TPSA) | 168.00 Ų |
XlogP | -0.10 |
There are no found synonyms. |
![2D Structure of (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one 2D Structure of (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/865ea0e0-875d-11ee-94c6-538e674dfc90.jpg)
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 | 98.83% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.37% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.54% | 94.73% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 92.46% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.40% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.29% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.35% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.23% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.97% | 94.00% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.45% | 89.67% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.75% | 96.61% |
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.
Aloe africana |
Aloe arborescens |
Aloe broomii |
Aloe castanea |
Aloe ferox |
Aloe microdonta |
Aloe rivae |
Aloe rubroviolacea |
Aloe vera |
Aloe verecunda |
PubChem | 129628856 |
LOTUS | LTS0031006 |
wikiData | Q104252905 |