Ampelopsin A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL103046 | |
| PubChem: | 182999 | |
| IUPAC: | (1S,8S,9R,16S)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol | |
| Standard InChI: | InChI=1S/C28H22O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26-34H/t23-,26-,27-,28+/m0/s1 | |
| Standard InChI Key: | LHUHHURKGTUZHU-QWMXJGQVSA-N | |
| SMILES: | Oc1ccc(cc1)[C@H]1Oc2c3[C@@H]1c1cc(O)cc(c1[C@@H]([C@H](c3cc(c2)O)O)c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 4.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 6 | |
| Molecular Weight: | 470.14 | |
| Topological polar surface area: | 131 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.143 | |
| Number of carbons: | 28 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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