6-[(3S,3Ar,6S,6Ar)-6-(3,4,5-Trimethoxyphenyl)-1,3,3A,4,6,6A-Hexahydrofuro[3,4-C]Furan-3-Yl]-4-Methoxy-1,3-Benzodioxole
Representations & DB's id
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| ChEBI: | CHEBI:9128 | |
|---|---|---|
| ChEMBL: | CHEMBL1980572 | |
| PubChem: | 342737 | |
| IUPAC: | 6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole | |
| Standard InChI: | InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1 | |
| Standard InChI Key: | DHWUVPPRBIJJKS-VUEDXXQZSA-N | |
| SMILES: | COc1cc(cc(c1OC)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c2c(c1)OCO2 | |
Molecular propeties
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| AlogP: | 3.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 5 | |
| Molecular Weight: | 430.16 | |
| Topological polar surface area: | 73.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.478 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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