3,5,10,11-tetrahydroxy-9-methoxy-13-[(4-methoxyphenyl)methyl]-13H-naphtho[1,2-b]xanthene-7,14-dione
| Internal ID | 187b848c-e69c-4de0-a7bf-f2d0867d0c13 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 3,5,10,11-tetrahydroxy-9-methoxy-13-[(4-methoxyphenyl)methyl]-13H-naphtho[1,2-b]xanthene-7,14-dione |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3OC4=C2C(=O)C5=C6C=CC(=CC6=C(C=C5C4=O)O)O)OC)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3OC4=C2C(=O)C5=C6C=CC(=CC6=C(C=C5C4=O)O)O)OC)O)O |
| InChI | InChI=1S/C30H22O9/c1-37-15-6-3-13(4-7-15)9-18-19-11-22(33)26(35)30(38-2)28(19)39-29-24(18)27(36)23-16-8-5-14(31)10-17(16)21(32)12-20(23)25(29)34/h3-8,10-12,18,31-33,35H,9H2,1-2H3 |
| InChI Key | MSWPRHPOWDEIGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 3,5,10,11-tetrahydroxy-9-methoxy-13-[(4-methoxyphenyl)methyl]-13H-naphtho[1,2-b]xanthene-7,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/351011-tetrahydroxy-9-methoxy-13-4-methoxyphenylmethyl-13h-naphtho12-bxanthene-714-dione.jpg "2D Structure of 3,5,10,11-tetrahydroxy-9-methoxy-13-[(4-methoxyphenyl)methyl]-13H-naphtho[1,2-b]xanthene-7,14-dione")
| 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 | 99.29% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.06% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.00% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.82% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.30% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.76% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.75% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.65% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.60% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.43% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 89.21% | 92.68% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.46% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.30% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.31% | 93.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.34% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.33% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.73% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.86% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.41% | 93.31% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.97% | 96.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.59% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.41% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.14% | 89.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.88% | 95.53% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.78% | 86.92% |
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.
| Dendrobium moniliforme |
| PubChem | 44235856 |
| LOTUS | LTS0218463 |
| wikiData | Q105171491 |