Naphthgeranine B
| Internal ID | adb01e1a-28eb-4ac7-a04a-363ac3f2fe4e |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O6/c1-20(2)13-4-3-9(8-21)5-11(13)16-17(24)12-6-10(22)7-14(23)15(12)18(25)19(16)26-20/h5-7,11,13,21-23H,3-4,8H2,1-2H3/t11-,13+/m1/s1 |
| InChI Key | PTWDQKQKJHACJW-YPMHNXCESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.10 |
| 137109-44-5 |
| (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione |
| DTXSID20160079 |
| 4H-Benzo(d)naphtho(2,3-b)pyran-7,12-dione, 3,4a,5,12b-tetrahydro-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-, (4aS-cis)- |
| 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 | 98.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.96% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.39% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.19% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.04% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.66% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.43% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.09% | 100.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 90.65% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.99% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.36% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.79% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.03% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.64% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.62% | 95.89% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.61% | 91.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.27% | 96.21% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.48% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.19% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.11% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.68% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.60% | 95.53% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.58% | 91.49% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.11% | 80.00% |
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 | 132026 |
| LOTUS | LTS0054846 |
| wikiData | Q83028461 |