13-Hydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21,26-trione
| Internal ID | f0cf9080-d49c-4e13-beb3-276ac2ff953a |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 13-hydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21,26-trione |
| SMILES (Canonical) | CC1C2C(CC3=C1C(=O)CC4(C3CC5(C4CCC6C(=C5)C=CC(=O)OC6(C)C)O)C)C=C(C(=O)O2)C |
| SMILES (Isomeric) | CC1C2C(CC3=C1C(=O)CC4(C3CC5(C4CCC6C(=C5)C=CC(=O)OC6(C)C)O)C)C=C(C(=O)O2)C |
| InChI | InChI=1S/C30H36O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-10,12,16,18,20-21,23,26,34H,7-8,11,13-14H2,1-5H3 |
| InChI Key | REUCSCMILGJJCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O6 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 13-Hydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21,26-trione](https://plantaedb.com/storage/docs/compounds/2023/11/c808a5f0-85cf-11ee-bf15-050ad3395692.jpg "2D Structure of 13-Hydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21,26-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.61% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.07% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.76% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.67% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.53% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.84% | 97.05% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.61% | 94.80% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.12% | 93.04% |
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 |
| Kadsura longepedunculata |
| PubChem | 73036695 |
| LOTUS | LTS0053779 |
| wikiData | Q105235108 |