Desoxypodophyllotoxin
Representations & DB's id
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| ChEBI: | CHEBI:4429 | |
|---|---|---|
| ChEMBL: | CHEMBL63970 | |
| PubChem: | 345501 | |
| IUPAC: | (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one | |
| Standard InChI: | InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1 | |
| Standard InChI Key: | ZGLXUQQMLLIKAN-SVIJTADQSA-N | |
| SMILES: | COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2 | |
Molecular propeties
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| AlogP: | 2.92 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 5 | |
| Molecular Weight: | 398.14 | |
| Topological polar surface area: | 72.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.409 | |
| Number of carbons: | 22 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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