Pyrenophoric acid B
| Internal ID | 24e3574a-49c4-42e8-a7ca-759e54039ab0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Abscisic acids and derivatives |
| IUPAC Name | (2Z,4E)-5-[(1R,4R,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-7,11-12,16,19H,8-9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t11-,12-,15+/m1/s1 |
| InChI Key | XABKJZWWYZHMSK-UXIJHLSFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 2.30 |
| (2Z,4E)-5-[(1R,4R,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoic acid |
| Pyrenophate b |
| Pyrenophic acid b |
| (2Z,4E)-5-((1R,4R,6R)-1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoate |
| (2Z,4E)-5-((1R,4R,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl)-3-methylpenta-2,4-dienoic acid |
| (2Z,4E)-5-[(1R,4R,6R)-1,4-Dihydroxy-2,2,6-trimethylcyclohexyl]-3-methylpenta-2,4-dienoate |
| RefChem:177520 |
| CHEBI:223105 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.18% | 83.82% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 93.86% | 91.67% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 92.19% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 90.49% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.88% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.67% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.13% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.75% | 91.19% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.55% | 95.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.21% | 96.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.14% | 97.64% |
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 | 139586486 |
| LOTUS | LTS0077474 |
| wikiData | Q105323792 |