Hamigeran G
| Internal ID | f41f3b01-4871-4cb0-9696-2dc383038da7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | (1R,3aS,10bS)-8-bromo-7-hydroxy-3a,9-dimethyl-1-propan-2-yl-2,3,4,10b-tetrahydro-1H-benzo[e]azulene-5,6-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1Br)O)C(=O)C(=O)CC3(C2C(CC3)C(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1Br)O)C(=O)C(=O)C[C@]3([C@@H]2[C@H](CC3)C(C)C)C |
| InChI | InChI=1S/C19H23BrO3/c1-9(2)11-5-6-19(4)8-13(21)17(22)14-12(15(11)19)7-10(3)16(20)18(14)23/h7,9,11,15,23H,5-6,8H2,1-4H3/t11-,15-,19+/m1/s1 |
| InChI Key | VXWUTGGQGOJSKP-VWCVUJCZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H23BrO3 |
| Molecular Weight | 379.30 g/mol |
| Exact Mass | 378.08306 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| 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 | 98.09% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.41% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.13% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.78% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.76% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.71% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.20% | 99.15% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.84% | 93.40% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.45% | 95.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.13% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.10% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.85% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.16% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.24% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.94% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.79% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.61% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.55% | 93.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.37% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.99% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.14% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.41% | 93.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.34% | 90.24% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.70% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.35% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.23% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 72722504 |
| LOTUS | LTS0209310 |
| wikiData | Q75069033 |