| PDB CCD ID: | CC9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H20 O6 |
| InChI: | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ |
| InChIKey: | VFLDPWHFBUODDF-FCXRPNKRSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O | | OpenEye OEToolkits 1.7.6 | COc1cc(ccc1O)C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O | | CACTVS 3.370 | COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O | | OpenEye OEToolkits 1.7.6 | COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O | | ACDLabs 12.01 | O=C(\C=C\c1ccc(O)c(OC)c1)CC(=O)\C=C\c2cc(OC)c(O)cc2 |
|
| Name: | curcumin;
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
| ChEMBL: | CHEMBL140 |
| DrugBank: | DB11672 |
| ZINC: | ZINC000000899824 |
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