14,27-Dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.02,14.05,11.011,13.017,26.019,24]octacosa-9,17(26),18,20,24-pentaene-8,22-dione
| Internal ID | 2abcc995-e8e0-445d-8393-5c743ed326c4 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 14,27-dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.02,14.05,11.011,13.017,26.019,24]octacosa-9,17(26),18,20,24-pentaene-8,22-dione |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(CC4(C3CC5(C4CCC6C(OC(=O)C=CC67C5O7)(C)C)O)C)O)C(=C2OC1=O)C |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(CC4(C3CC5(C4CCC6C(OC(=O)C=CC67C5O7)(C)C)O)C)O)C(=C2OC1=O)C |
| InChI | InChI=1S/C30H34O7/c1-14-10-16-11-17-18-12-29(34)21(28(18,5)13-19(31)23(17)15(2)24(16)35-25(14)33)7-6-20-27(3,4)36-22(32)8-9-30(20)26(29)37-30/h8-11,18-21,26,31,34H,6-7,12-13H2,1-5H3 |
| InChI Key | LHLZBWBHDQMMAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H34O7 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 14,27-Dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.02,14.05,11.011,13.017,26.019,24]octacosa-9,17(26),18,20,24-pentaene-8,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5383f0f0-8550-11ee-b08f-c1d7f6a5ac11.jpg "2D Structure of 14,27-Dihydroxy-1,6,6,21,25-pentamethyl-7,12,23-trioxaheptacyclo[14.12.0.02,14.05,11.011,13.017,26.019,24]octacosa-9,17(26),18,20,24-pentaene-8,22-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 | 97.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.41% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.14% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 86.73% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.40% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.92% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.83% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.45% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.78% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.79% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.89% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.82% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.67% | 86.33% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.48% | 85.49% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 81.41% | 88.42% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.02% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.76% | 93.00% |
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 | 74400397 |
| LOTUS | LTS0112073 |
| wikiData | Q105151845 |