PDB CCD ID: | 5KG |
Number of entries in BioLiP: | 2 |
Chemical formula: | C21 H24 O3 |
InChI: | InChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2 |
InChIKey: | YQPOGTYYEGSNFP-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3 | OpenEye OEToolkits 1.9.2 | c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O | ACDLabs 12.01 | c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3\CCC(CC3)CCO |
|
Name: | 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol |
ChEMBL: | CHEMBL205232 |
ZINC: | ZINC000013685663 |