(1R,2R,5R,7S,10R,11R,13R,15S,18S,19S,22R)-15-[(1S)-1-Hydroxyethyl]-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.115,18.02,11.05,10.019,22]tricosan-7-ol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1669122 | |
| PubChem: | 53324794 | |
| IUPAC: | (1R,2R,5R,7S,10R,11R,13R,15S,18S,19S,22R)-15-[(1S)-1-hydroxyethyl]-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.115,18.02,11.05,10.019,22]tricosan-7-ol | |
| Standard InChI: | InChI=1S/C29H48O4/c1-17(30)29-15-14-28(7,33-29)18-8-12-27(6)23(18)19(32-29)16-21-25(4)11-10-22(31)24(2,3)20(25)9-13-26(21,27)5/h17-23,30-31H,8-16H2,1-7H3/t17-,18-,19+,20-,21+,22-,23-,25-,26+,27+,28-,29-/m0/s1 | |
| Standard InChI Key: | APPPXTMUUWJGRZ-NNVISGGKSA-N | |
| SMILES: | C[C@@H]([C@@]12CC[C@@](O2)(C)[C@@H]2[C@H]3[C@H](O1)C[C@@H]1[C@@]4(C)CC[C@@H](C([C@@H]4CC[C@]1([C@]3(C)CC2)C)(C)C)O)O | |
Molecular propeties
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| AlogP: | 5.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 6 | |
| Molecular Weight: | 460.36 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 29 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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