Hamigeran C
| Internal ID | 1d4ef2c7-1508-4b56-87cf-3bc3a5887ea7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | [(1R,3aR,4R,10bR)-8-bromo-7-hydroxy-3a,9-dimethyl-5,6-dioxo-1-propan-2-yl-2,3,4,10b-tetrahydro-1H-benzo[e]azulen-4-yl] acetate |
| SMILES (Canonical) | CC1=CC2=C(C(=C1Br)O)C(=O)C(=O)C(C3(C2C(CC3)C(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1Br)O)C(=O)C(=O)[C@@H]([C@]3([C@@H]2[C@H](CC3)C(C)C)C)OC(=O)C |
| InChI | InChI=1S/C21H25BrO5/c1-9(2)12-6-7-21(5)15(12)13-8-10(3)16(22)17(24)14(13)18(25)19(26)20(21)27-11(4)23/h8-9,12,15,20,24H,6-7H2,1-5H3/t12-,15-,20+,21-/m1/s1 |
| InChI Key | RIFRKOGZXWRBEW-FSKQDFAOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H25BrO5 |
| Molecular Weight | 437.30 g/mol |
| Exact Mass | 436.08854 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 5.20 |
| CHEMBL480483 |
| 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 | 99.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.14% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.66% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.79% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.89% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.97% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.59% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.94% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.12% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.08% | 91.19% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.18% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.23% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.25% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.95% | 96.43% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.98% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.34% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.34% | 91.07% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.19% | 93.18% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.09% | 90.08% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.07% | 96.21% |
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.
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| There are no matching plants. |
| PubChem | 10320862 |
| LOTUS | LTS0077149 |
| wikiData | Q105236821 |