(6aS,11aR,11bS)-6a,11b-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-one
| Internal ID | efb4ef01-a868-4c9a-8678-2018b7b10dd6 |
| Taxonomy | Organoheterocyclic compounds > Coumarans |
| IUPAC Name | (6aS,11aR,11bS)-6a,11b-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3C2(COC4=CC(=O)C=CC34O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=CC(=O)C=C[C@]34O)O)OC)C |
| InChI | InChI=1S/C21H22O6/c1-12(2)4-5-14-16(25-3)7-6-15-18(14)27-19-20(23)9-8-13(22)10-17(20)26-11-21(15,19)24/h4,6-10,19,23-24H,5,11H2,1-3H3/t19-,20+,21+/m0/s1 |
| InChI Key | XDJKLTBEDCQEBP-PWRODBHTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (6aS,11aR,11bS)-6a,11b-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/5e59c190-856b-11ee-a122-4fa59646f148.jpg "2D Structure of (6aS,11aR,11bS)-6a,11b-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-3-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.14% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.86% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.38% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.93% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.78% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.05% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.71% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.84% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.64% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.91% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.45% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.32% | 97.28% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.01% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.28% | 99.23% |
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 fusca |
| Erythrina subumbrans |
| Erythrina variegata |
| PubChem | 101995345 |
| LOTUS | LTS0271078 |
| wikiData | Q104401291 |