6,8-Dihydroxy-3-[(1e,3e)-penta-1,3-dien-1-yl]isochroman-1-one
| Internal ID | b14bec52-e4fc-4fdf-b892-1e6a0d503f23 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 6,8-dihydroxy-3-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC=CC=CC1CC2=C(C(=CC(=C2)O)O)C(=O)O1 |
| SMILES (Isomeric) | C/C=C/C=C/C1CC2=C(C(=CC(=C2)O)O)C(=O)O1 |
| InChI | InChI=1S/C14H14O4/c1-2-3-4-5-11-7-9-6-10(15)8-12(16)13(9)14(17)18-11/h2-6,8,11,15-16H,7H2,1H3/b3-2+,5-4+ |
| InChI Key | OLFYYTGCAAOHGK-MQQKCMAXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.26 g/mol |
| Exact Mass | 246.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.20 |
| 6,8-dihydroxy-3-[(1e,3e)-penta-1,3-dien-1-yl]isochroman-1-one |
![2D Structure of 6,8-Dihydroxy-3-[(1e,3e)-penta-1,3-dien-1-yl]isochroman-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/68-dihydroxy-3-1e3e-penta-13-dien-1-ylisochroman-1-one.jpg "2D Structure of 6,8-Dihydroxy-3-[(1e,3e)-penta-1,3-dien-1-yl]isochroman-1-one")
| 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 | 97.16% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.12% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.68% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.80% | 94.73% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.97% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.32% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.73% | 86.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.99% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.49% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.35% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.38% | 96.09% |
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.
| Ephedra alata |
| Moronobea coccinea |
| Xanthium strumarium |
| PubChem | 139590349 |
| LOTUS | LTS0206459 |
| wikiData | Q105188644 |