Amorin
| Internal ID | 41dca7ba-3d2e-492e-a782-35574daed3e7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | 5-hydroxy-8-(8-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C30H32O6/c1-16(2)7-8-20-27-19(10-12-30(5,6)36-27)25(33)24-21(31)15-23(34-28(20)24)18-13-17-9-11-29(3,4)35-26(17)22(32)14-18/h7,9-14,23,32-33H,8,15H2,1-6H3 |
| InChI Key | HRNLTDFVEVHLFF-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C30H32O6 |
| Molecular Weight | 488.60 g/mol |
| Exact Mass | 488.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 6.50 |
| LMPK12140422 |
| 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 | 99.79% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.91% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.25% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.51% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.73% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.07% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.32% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.36% | 80.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.69% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.79% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.14% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.56% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.40% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.71% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.47% | 83.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.12% | 90.71% |
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.
| Amorpha fruticosa |
| PubChem | 14187657 |
| LOTUS | LTS0213485 |
| wikiData | Q105032740 |