Debromohamigeran E
| Internal ID | c640d443-6f8d-4a81-8ab1-9ec7700562d3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | 2-[(1R,2R,5R)-2-carboxy-2-methyl-5-propan-2-ylcyclopentyl]-6-hydroxy-4-methylbenzoic acid |
| SMILES (Canonical) | CC1=CC(=C(C(=C1)O)C(=O)O)C2C(CCC2(C)C(=O)O)C(C)C |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1)O)C(=O)O)[C@H]2[C@H](CC[C@@]2(C)C(=O)O)C(C)C |
| InChI | InChI=1S/C18H24O5/c1-9(2)11-5-6-18(4,17(22)23)15(11)12-7-10(3)8-13(19)14(12)16(20)21/h7-9,11,15,19H,5-6H2,1-4H3,(H,20,21)(H,22,23)/t11-,15-,18-/m1/s1 |
| InChI Key | MBYBTLXXBFIRFE-PZDGAKPMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H24O5 |
| Molecular Weight | 320.40 g/mol |
| Exact Mass | 320.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 4.20 |
| 2-[(1R,2R,5R)-2-carboxy-2-methyl-5-propan-2-ylcyclopentyl]-6-hydroxy-4-methylbenzoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.35% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.08% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.33% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.55% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.12% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.83% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.81% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.02% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.68% | 94.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.29% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.27% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.33% | 91.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.64% | 95.89% |
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 | 21775674 |
| LOTUS | LTS0132790 |
| wikiData | Q105161032 |