2-(7,8-dihydroxy-4,8-dimethylnon-3-enyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
| Internal ID | 04739d17-a91e-47a8-844d-7a64e8b3ddf6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 2-(7,8-dihydroxy-4,8-dimethylnon-3-enyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one |
| SMILES (Canonical) | CC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCO)O)O)C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCO)O)O)C)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C25H37NO7/c1-15(7-8-20(29)24(2,3)32)6-5-9-25(4)21(30)13-17-19(28)12-16-18(22(17)33-25)14-26(10-11-27)23(16)31/h6,12,20-21,27-30,32H,5,7-11,13-14H2,1-4H3 |
| InChI Key | ARJSGSALIJXTLS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H37NO7 |
| Molecular Weight | 463.60 g/mol |
| Exact Mass | 463.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 2-(7,8-dihydroxy-4,8-dimethylnon-3-enyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/246fb2c0-8656-11ee-b7e5-d1ccf5ec92f6.jpg "2D Structure of 2-(7,8-dihydroxy-4,8-dimethylnon-3-enyl)-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.39% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.19% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.30% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.91% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.55% | 93.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.67% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.42% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.28% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.20% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.17% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.10% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.67% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.04% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.93% | 90.24% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.79% | 99.35% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.69% | 96.90% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.39% | 94.78% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.69% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 85122953 |
| LOTUS | LTS0103424 |
| wikiData | Q103816371 |