1-Methoxyerythrabyssin Ii
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL401566 | |
| PubChem: | 24761044 | |
| IUPAC: | (6aR,11aR)-1-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol | |
| Standard InChI: | InChI=1S/C26H30O5/c1-14(2)6-8-17-20(27)11-10-16-19-13-30-22-12-21(28)18(9-7-15(3)4)25(29-5)23(22)26(19)31-24(16)17/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1 | |
| Standard InChI Key: | SHSISVOIQZYVQR-AFMDSPMNSA-N | |
| SMILES: | COc1c2c(OC[C@@H]3[C@H]2Oc2c3ccc(c2CC=C(C)C)O)cc(c1CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 5.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 422.21 | |
| Topological polar surface area: | 68.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.385 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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