PDB CCD ID: | 7BA |
Number of entries in BioLiP: | 3 |
Chemical formula: | C18 H20 O5 |
InChI: | InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5- |
InChIKey: | HVXBOLULGPECHP-WAYWQWQTSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC | CACTVS 3.385 | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O | CACTVS 3.385 | COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O | OpenEye OEToolkits 2.0.6 | COc1ccc(cc1O)C=Cc2cc(c(c(c2)OC)OC)OC |
|
Name: | Combretastatin A4 |
ChEMBL: | CHEMBL67 |
DrugBank: | DB14680 |
ZINC: | ZINC000013452167 |