BUN
Summary
| Name: | (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one |
| Synonyms: | 2',3,4,4'-Tetrahydroxychalcone Butein |
| Formula: | C15 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 272.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one |
| OpenEye OEToolkits | 1.7.6 | (E)-1-[2,4-bis(oxidanyl)phenyl]-3-[3,4-bis(oxidanyl)phenyl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccc(O)cc1O)\C=C\c2cc(O)c(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ |
| InChIKey | InChI | 1.03 | AYMYWHCQALZEGT-ORCRQEGFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(O)c2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)O)O |
