6H-Benzofuro(3,2-C)furo(3,2-g)(1)benzopyran-9-ol, 6a,11a-dihydro-, (6ar-cis)-
| Internal ID | a40f3903-685e-481c-8150-fc35104fbfa5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (1R,13R)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaen-17-ol |
| SMILES (Canonical) | C1C2C(C3=C(O1)C=C4C(=C3)C=CO4)OC5=C2C=CC(=C5)O |
| SMILES (Isomeric) | C1[C@@H]2[C@H](C3=C(O1)C=C4C(=C3)C=CO4)OC5=C2C=CC(=C5)O |
| InChI | InChI=1S/C17H12O4/c18-10-1-2-11-13-8-20-15-7-14-9(3-4-19-14)5-12(15)17(13)21-16(11)6-10/h1-7,13,17-18H,8H2/t13-,17-/m0/s1 |
| InChI Key | UUDOMPYHVUEXEE-GUYCJALGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H12O4 |
| Molecular Weight | 280.27 g/mol |
| Exact Mass | 280.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 3.00 |
| Neodunol |
| Neodunol, (-)- |
| HD64NX2E59 |
| UNII-HD64NX2E59 |
| 53766-53-3 |
| 6H-Benzofuro(3,2-C)furo(3,2-g)(1)benzopyran-9-ol, 6a,11a-dihydro-, (6aR,11aR)- |
| 6H-Benzofuro(3,2-C)furo(3,2-g)(1)benzopyran-9-ol, 6a,11a-dihydro-, (6ar-cis)- |
| DTXSID001145562 |
| Q27279870 |
| (6aR,11aR)-6a,11a-Dihydro-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-9-ol |
| 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 | 96.86% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 96.48% | 89.76% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.73% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.17% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.21% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.62% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.62% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.28% | 93.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.11% | 83.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.95% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.55% | 99.15% |
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.
| Calopogonium mucunoides |
| PubChem | 119025642 |
| LOTUS | LTS0139971 |
| wikiData | Q27279870 |