(-)-Ampelopsin H
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1939278 | |
| PubChem: | 21606291 | |
| IUPAC: | (1R,4R,5R,11R,12R,15R,16R,22R)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.10.0.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol | |
| Standard InChI: | InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)48-40(66)24-42-50(54(48)51(43)52)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51+,52+,55+,56+/m1/s1 | |
| Standard InChI Key: | HEIKOEZNFLUAEJ-OAPWRRNMSA-N | |
| SMILES: | Oc1ccc(cc1)[C@@H]1c2c(O)cc3c(c2[C@@H]2[C@H]1c1c([C@H]2c2ccc(cc2)O)c(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O)[C@@H](c1cc(O)cc(c1)O)[C@@H](O3)c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 10.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 12 | |
| Hydrogen bonds donors: | 10 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 12 | |
| Molecular Weight: | 906.27 | |
| Topological polar surface area: | 221 | |
| Number of aromatic rings: | 8 | |
| Fsp3: | 0.143 | |
| Number of carbons: | 56 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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