Grossamide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL500729 | |
| PubChem: | 6440658 | |
| IUPAC: | (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide | |
| Standard InChI: | InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m1/s1 | |
| Standard InChI Key: | DROXVBRNXCRUHP-YRKLVFRVSA-N | |
| SMILES: | COc1cc(/C=C/C(=NCCc2ccc(cc2)O)O)cc2c1O[C@H]([C@@H]2C(=NCCc1ccc(cc1)O)O)c1ccc(c(c1)OC)O | |
Molecular propeties
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| AlogP: | 4.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 12 | |
| Number of rings: | 5 | |
| Molecular Weight: | 624.25 | |
| Topological polar surface area: | 147 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 36 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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