5,9-Dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione
| Internal ID | 18af5e98-9b48-4843-a96e-801ffe9acc57 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 5,9-dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H33NO7/c1-17(2)30(35)10-9-27(3)22-12-19-21(13-20(37-26(19)34)18-6-5-11-31-15-18)38-28(22,4)24(32)14-23(27)29(30)8-7-25(33)36-16-29/h5-6,11-13,15,23-24,32,35H,1,7-10,14,16H2,2-4H3 |
| InChI Key | GHODSEBRMSIFPD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H33NO7 |
| Molecular Weight | 519.60 g/mol |
| Exact Mass | 519.22570239 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 5,9-Dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5f571200-857d-11ee-93a6-e9c8346fde71.jpg "2D Structure of 5,9-Dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-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 | 98.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.03% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.82% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.97% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.88% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.57% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.36% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.11% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.43% | 99.23% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 90.98% | 88.84% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.84% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.97% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.43% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.12% | 94.80% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.48% | 97.53% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.88% | 80.96% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.85% | 81.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.26% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.60% | 96.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.43% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.25% | 96.77% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.63% | 95.38% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.71% | 100.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.42% | 96.67% |
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.
| Broussonetia papyrifera |
| PubChem | 162852888 |
| LOTUS | LTS0047707 |
| wikiData | Q105229621 |