Peperomin B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL559875 | |
| PubChem: | 14541875 | |
| IUPAC: | (3S,4S)-4-[(S)-(7-methoxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one | |
| Standard InChI: | InChI=1S/C23H26O8/c1-12-15(10-29-23(12)24)20(13-6-16(25-2)21(28-5)17(7-13)26-3)14-8-18(27-4)22-19(9-14)30-11-31-22/h6-9,12,15,20H,10-11H2,1-5H3/t12-,15+,20-/m0/s1 | |
| Standard InChI Key: | BKBNELRCROXDSH-VHPWJVAPSA-N | |
| SMILES: | COc1cc(cc(c1OC)OC)[C@H]([C@@H]1COC(=O)[C@H]1C)c1cc(OC)c2c(c1)OCO2 | |
Molecular propeties
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| AlogP: | 3.39 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 4 | |
| Molecular Weight: | 430.16 | |
| Topological polar surface area: | 81.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.435 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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