Sigmoidin F
| Internal ID | aa43b8cc-e61b-4d55-b161-d09733514b01 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | (2R)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)[C@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m1/s1 |
| InChI Key | WPVMLODCRMLWMB-HXUWFJFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.20 |
| 126005-97-8 |
| 0IK34IT82U |
| CHEMBL229222 |
| (2,6'-Bi-2H-1-benzopyran)-4(3H)-one, 5,7,8'-trihydroxy-2',2'-dimethyl-7'-(3-methyl-2-butenyl)-, (R)- |
| D0N8OO |
| UNII-0IK34IT82U |
| DTXSID90925374 |
| BDBM50212398 |
| (2R)-5,7-dihydroxy-2-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]-2,3-dihydrochromen-4-one |
| (2,6'-BI-2H-1-BENZOPYRAN)-4(3H)-ONE, 5,7,8'-TRIHYDROXY-2',2'-DIMETHYL-7'-(3-METHYL-2-BUTEN-1-YL)-, (2R)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
14200 nM |
IC50 |
PMID: 16792413
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.98% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.09% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.01% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.20% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.36% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.96% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.75% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.69% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.75% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.97% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.50% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.40% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.35% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.21% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.92% | 80.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.17% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.10% | 99.17% |
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.
| Erythrina abyssinica |
| Erythrina abyssinica |
| Erythrina latissima |
| Erythrina sigmoidea |
| PubChem | 164215 |
| NPASS | NPC43319 |
| ChEMBL | CHEMBL229222 |
| LOTUS | LTS0271288 |
| wikiData | Q82899686 |