Glabrene
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL462722 | |
| PubChem: | 480774 | |
| IUPAC: | 8-(7-hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol | |
| Standard InChI: | InChI=1S/C20H18O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3 | |
| Standard InChI Key: | NGGYSPUAKQMTNP-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)OCC(=C2)c1ccc(c2c1OC(C)(C)C=C2)O | |
Molecular propeties
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| AlogP: | 4.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 322.12 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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