5-Ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
| Internal ID | dfda980b-5553-437c-b30e-b3089133c607 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 5-ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione |
| SMILES (Canonical) | CC12C3C(C4C5(O4)C(OC(=O)C=C5C3(C6C(C1O)O6)C)C=C)OC2=O |
| SMILES (Isomeric) | CC12C3C(C4C5(O4)C(OC(=O)C=C5C3(C6C(C1O)O6)C)C=C)OC2=O |
| InChI | InChI=1S/C18H18O7/c1-4-7-18-6(5-8(19)22-7)16(2)11-9(14(18)25-18)24-15(21)17(11,3)12(20)10-13(16)23-10/h4-5,7,9-14,20H,1H2,2-3H3 |
| InChI Key | VLRYBJQMQSJMHB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O7 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 97.90 Ų |
| XlogP | -0.40 |
| DTXSID80953363 |
| 9-Ethenyl-4-hydroxy-3a,5b-dimethyl-1a,1b,3a,3b,4,4a,5a,5b-octahydro-3H,7H,9H-furo[2',3',4':4,5]bisoxireno[2,3:7,8]naphtho[2,1-c]pyran-3,7-dione |
![2D Structure of 5-Ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f0fdf130-85b3-11ee-b983-f7ac1721641b.jpg "2D Structure of 5-Ethenyl-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-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 | 95.62% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.98% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.03% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.09% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.96% | 94.73% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.72% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.31% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.25% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.94% | 99.23% |
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.
| Podocarpus latifolius |
| Podocarpus macrophyllus |
| Podocarpus neriifolius |
| PubChem | 186146 |
| LOTUS | LTS0070636 |
| wikiData | Q82932201 |