(S)-2-trans-abscisic acid
| Internal ID | b04466bf-b0c5-49dc-8990-9fb4a3da9523 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Abscisic acids and derivatives |
| IUPAC Name | (2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
| SMILES (Canonical) | CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C |
| InChI | InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+/t15-/m1/s1 |
| InChI Key | JLIDBLDQVAYHNE-IBPUIESWSA-N |
| Popularity | 8,052 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 1.60 |
| (+)-Abscisic acid |
| 6755-41-5 |
| ABSCISIC ACID |
| (s)-abscisic acid |
| Dormin (VAN) |
| Abscisate |
| Dormin (abscission factor) |
| 2-cis,4-trans-Abscisic acid |
| cis-trans-(+)-Abscissic acid |
| 21293-29-8 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
31.6 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.47% | 86.33% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 89.04% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 88.59% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.48% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.83% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.89% | 96.09% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 85.12% | 91.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.86% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.32% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.88% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.87% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.62% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.39% | 90.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.28% | 90.24% |
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.
| Zanthoxylum simulans |
| Zea mays |
| PubChem | 5702609 |
| LOTUS | LTS0260851 |
| wikiData | Q27109089 |