PDB CCD ID: | HC4 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H8 O3 |
InChI: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ |
InChIKey: | NGSWKAQJJWESNS-ZZXKWVIFSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(ccc1C=CC(=O)O)O | CACTVS 3.341 | OC(=O)\C=C\c1ccc(O)cc1 | CACTVS 3.341 | OC(=O)C=Cc1ccc(O)cc1 | OpenEye OEToolkits 1.5.0 | c1cc(ccc1\C=C\C(=O)O)O | ACDLabs 10.04 | O=C(O)/C=C/c1ccc(O)cc1 |
|
Name: | 4'-HYDROXYCINNAMIC ACID; PARA-COUMARIC ACID |
ChEMBL: | CHEMBL66879 |
DrugBank: | DB04066 |
ZINC: | ZINC000000039811 |