Hamigeran A
| Internal ID | 6d2feac5-5a90-4ec7-80a3-9255feb2f397 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxylic acids |
| IUPAC Name | methyl (1R,3aR,4R,9bR)-7-bromo-4,6-dihydroxy-3a,8-dimethyl-5-oxo-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H25BrO5/c1-9(2)11-6-7-19(4)14(11)12-8-10(3)15(21)16(22)13(12)17(23)20(19,25)18(24)26-5/h8-9,11,14,22,25H,6-7H2,1-5H3/t11-,14-,19-,20-/m1/s1 |
| InChI Key | ZUMYUUHSQZYLPD-VKUYIICUSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C20H25BrO5 |
| Molecular Weight | 425.30 g/mol |
| Exact Mass | 424.08854 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.00 |
| CHEMBL364659 |
| DTXSID701043701 |
| 255882-01-0 |
| Q59315549 |
| 7-bromo-4beta,6-dihydro-1beta-isopropyl-4alpha-methoxycarbonyl-3aalpha,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one] |
| 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 | 99.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.14% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.93% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 93.25% | 91.07% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.34% | 96.38% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.84% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.76% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.71% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.76% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.11% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.11% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.04% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.80% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.31% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.72% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.04% | 90.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.64% | 92.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.52% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.40% | 99.23% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 83.20% | 92.98% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.89% | 91.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.74% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.73% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.62% | 92.62% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.98% | 91.24% |
| CHEMBL5028 | O14672 | ADAM10 | 81.34% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.86% | 92.88% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.18% | 96.47% |
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 | 10025421 |
| LOTUS | LTS0084651 |
| wikiData | Q59315549 |