10-hydroxy-5,7-dimethoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]isochromen-1-one
Internal ID | ba6567a2-dd36-497e-9517-f49ad95c09ed |
Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
IUPAC Name | 10-hydroxy-5,7-dimethoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]isochromen-1-one |
SMILES (Canonical) | CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)OC4C(C(C(C(O4)CO)O)O)O)O)C(=O)O1 |
SMILES (Isomeric) | CC1=CC2=C(C(=C3C(=CC(=CC3=C2OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)O1 |
InChI | InChI=1S/C22H24O11/c1-8-4-10-15(21(28)31-8)17(25)14-11(20(10)30-3)5-9(29-2)6-12(14)32-22-19(27)18(26)16(24)13(7-23)33-22/h4-6,13,16,18-19,22-27H,7H2,1-3H3/t13-,16-,18+,19-,22-/m1/s1 |
InChI Key | MLIAPYGFYBSVBC-FSFQXNNFSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C22H24O11 |
Molecular Weight | 464.40 g/mol |
Exact Mass | 464.13186158 g/mol |
Topological Polar Surface Area (TPSA) | 164.00 Ų |
XlogP | 1.50 |
There are no found synonyms. |
![2D Structure of 10-hydroxy-5,7-dimethoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]isochromen-1-one 2D Structure of 10-hydroxy-5,7-dimethoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/6ed05960-8545-11ee-918a-ab76ab348eed.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 | 99.30% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.08% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.27% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.77% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.03% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.45% | 99.17% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.40% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.66% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.11% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.74% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.23% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.98% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.26% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.99% | 96.21% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.46% | 99.23% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.09% | 93.18% |
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.
Paepalanthus bromelioides |
Paepalanthus microphyllus |
PubChem | 10027431 |
LOTUS | LTS0105656 |
wikiData | Q105166674 |