Oryzalic acid B
| Internal ID | b28767dd-0b43-474b-ac65-f940a75c6603 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | 2-[5-(carboxymethyl)-11-hydroxy-5-methyl-10-methylidene-4-tricyclo[7.2.1.01,6]dodecanyl]-2-methylpropanoic acid |
| SMILES (Canonical) | CC1(C2CCC3CC2(CCC1C(C)(C)C(=O)O)C(C3=C)O)CC(=O)O |
| SMILES (Isomeric) | CC1(C2CCC3CC2(CCC1C(C)(C)C(=O)O)C(C3=C)O)CC(=O)O |
| InChI | InChI=1S/C20H30O5/c1-11-12-5-6-14-19(4,10-15(21)22)13(18(2,3)17(24)25)7-8-20(14,9-12)16(11)23/h12-14,16,23H,1,5-10H2,2-4H3,(H,21,22)(H,24,25) |
| InChI Key | DKUYNSVJKKPQRW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 2.80 |
| CHEBI:175484 |
| 15-Hydroxy-2,3-seco-16-kaurene-2,3-dioic acid |
| 2-[5-(carboxymethyl)-11-hydroxy-5-methyl-10-methylidene-4-tricyclo[7.2.1.01,6]dodecanyl]-2-methylpropanoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.44% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.85% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.40% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.34% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.15% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.85% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.78% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.21% | 96.61% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.77% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.02% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.76% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.22% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.81% | 90.93% |
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.
| Oryza sativa |
| PubChem | 131752433 |
| LOTUS | LTS0231957 |
| wikiData | Q104401818 |