Isolariciresinol
Representations & DB's id
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| ChEBI: | CHEBI:69542 | |
|---|---|---|
| ChEMBL: | CHEMBL399512 | |
| PubChem: | 160521 | |
| IUPAC: | (6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol | |
| Standard InChI: | InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1 | |
| Standard InChI Key: | OGFXBIXJCWAUCH-KPHUOKFYSA-N | |
| SMILES: | OC[C@@H]1Cc2cc(OC)c(cc2[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O)O | |
Molecular propeties
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| AlogP: | 2.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.16 | |
| Topological polar surface area: | 99.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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