PDB CCD ID: | N7I |
Number of entries in BioLiP: | 12 |
Chemical formula: | C10 H12 O3 |
InChI: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ |
InChIKey: | JMFRWRFFLBVWSI-NSCUHMNNSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | COc1cc(C=CCO)ccc1O | CACTVS 3.370 | COc1cc(\C=C\CO)ccc1O | OpenEye OEToolkits 1.7.0 | COc1cc(ccc1O)C=CCO | ACDLabs 12.01 | Oc1ccc(cc1OC)/C=C/CO | OpenEye OEToolkits 1.7.0 | COc1cc(ccc1O)/C=C/CO |
|
Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol; Coniferyl alcohol |
ChEMBL: | CHEMBL501870 |
ZINC: | ZINC000012359045 |