Marlignan L
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1095496 | |
| PubChem: | 46832527 | |
| IUPAC: | (9S,10S)-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,9,14-triol | |
| Standard InChI: | InChI=1S/C22H28O7/c1-11-7-12-8-14(23)18(26-3)20(28-5)16(12)17-13(10-22(11,2)25)9-15(24)19(27-4)21(17)29-6/h8-9,11,23-25H,7,10H2,1-6H3/t11-,22-/m0/s1 | |
| Standard InChI Key: | MJFWZSINVRYQFD-SAHAZLINSA-N | |
| SMILES: | COc1c(O)cc2c(c1OC)c1c(cc(c(c1OC)OC)O)C[C@@H]([C@@](C2)(C)O)C | |
Molecular propeties
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| AlogP: | 3.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 404.18 | |
| Topological polar surface area: | 97.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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