7BA
Summary
| Name: | Combretastatin A4 |
| Formula: | C18 H20 O5 |
| Formal charge: | 0 |
| Formula weight: | 316.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-methoxy-5-[(~{Z})-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | HVXBOLULGPECHP-WAYWQWQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O |
| SMILES | CACTVS | 3.385 | COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1O)C=Cc2cc(c(c(c2)OC)OC)OC |
