Peniciisocoumarin F
| Internal ID | cd9d058d-0f6b-4d5b-8ad0-308a22792056 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | (3R)-5,8-dihydroxy-3-[(4R)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC(CCCC1CC2=C(C=CC(=C2C(=O)O1)O)O)O |
| SMILES (Isomeric) | C[C@H](CCC[C@@H]1CC2=C(C=CC(=C2C(=O)O1)O)O)O |
| InChI | InChI=1S/C14H18O5/c1-8(15)3-2-4-9-7-10-11(16)5-6-12(17)13(10)14(18)19-9/h5-6,8-9,15-17H,2-4,7H2,1H3/t8-,9-/m1/s1 |
| InChI Key | MHNSAYQVUAOBDT-RKDXNWHRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.50 |
| CHEMBL4530025 |
| 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 | 98.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.11% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.98% | 91.49% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 86.55% | 96.37% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.08% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.86% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.33% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.07% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.76% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.39% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.17% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.43% | 86.33% |
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 | 145720898 |
| LOTUS | LTS0120363 |
| wikiData | Q105163897 |