Galbanic acid
| Internal ID | 6ce8bf13-285e-42d5-8a93-26dd7eff4a60 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoic acid |
| SMILES (Canonical) | CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)O |
| SMILES (Isomeric) | C[C@H]1CCC(=C(C)C)[C@@H]([C@@]1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)O |
| InChI | InChI=1S/C24H30O5/c1-15(2)19-9-5-16(3)24(4,20(19)10-11-22(25)26)14-28-18-8-6-17-7-12-23(27)29-21(17)13-18/h6-8,12-13,16,20H,5,9-11,14H2,1-4H3,(H,25,26)/t16-,20-,24-/m0/s1 |
| InChI Key | CVWWNYPTZYQCSE-YFBXQHAESA-N |
| Popularity | 32 references in papers |
| Molecular Formula | C24H30O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 5.10 |
| Asacoumarin B |
| 3566-55-0 |
| 9OFS0HWC92 |
| UNII-9OFS0HWC92 |
| 3-[(1S,2S,3S)-2,3-dimethyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-propan-2-ylidenecyclohexyl]propanoic acid |
| 2-Cyclohexene-1-butanoic acid, 6-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-alpha,2,3,6-tetramethyl- |
| CYCLOHEXANEPROPANOIC ACID, 2,3-DIMETHYL-6-(1-METHYLETHYLIDENE)-2-(((2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)METHYL)-, (1S,2S,3S)- |
| DTXSID60189163 |
| 3-(2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl)propanoic acid |
| (-)-GALBANIC ACID |
| 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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 94.74% | 97.53% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.53% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.38% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.90% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.63% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.00% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.15% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.33% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.86% | 94.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.43% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.47% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.47% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.00% | 85.14% |
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.
| Ferula assa-foetida |
| Ferula gummosa |
| Ferula kokanica |
| Ferula szowitziana |
| PubChem | 7082474 |
| LOTUS | LTS0198833 |
| wikiData | Q27272827 |