13,26-Dihydroxy-12-methoxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-10,16(25),17,19,23-pentaene-8,21-dione
| Internal ID | 1b78bec5-d310-4ed8-9585-8aa2a19a0626 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 13,26-dihydroxy-12-methoxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-10,16(25),17,19,23-pentaene-8,21-dione |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(CC4(C3CC5(C4CCC6C(=CCC(=O)OC6(C)C)C5OC)O)C)O)C(=C2OC1=O)C |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(CC4(C3CC5(C4CCC6C(=CCC(=O)OC6(C)C)C5OC)O)C)O)C(=C2OC1=O)C |
| InChI | InChI=1S/C31H38O7/c1-15-11-17-12-19-21-13-31(35)23(30(21,5)14-22(32)25(19)16(2)26(17)37-28(15)34)9-8-20-18(27(31)36-6)7-10-24(33)38-29(20,3)4/h7,11-12,20-23,27,32,35H,8-10,13-14H2,1-6H3 |
| InChI Key | NEXQJZVOIAUZAP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H38O7 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 13,26-Dihydroxy-12-methoxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-10,16(25),17,19,23-pentaene-8,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/460a9340-87bf-11ee-92df-532c856eeff4.jpg "2D Structure of 13,26-Dihydroxy-12-methoxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-10,16(25),17,19,23-pentaene-8,21-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 | 98.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.99% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.98% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.82% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.81% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.94% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.01% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.86% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.26% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.89% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.35% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.26% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.03% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.99% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.78% | 82.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.72% | 100.00% |
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.
| Kadsura coccinea |
| PubChem | 74400319 |
| LOTUS | LTS0137530 |
| wikiData | Q105178266 |