975
4-(2-hydroxyethyl)benzene-1,2-diol
| Created: | 2017-04-26 |
| Last modified: | 2018-11-07 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 0 |
| Bond Count | 21 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 4-(2-hydroxyethyl)benzene-1,2-diol |
| Systematic Name (OpenEye OEToolkits) | 4-(2-hydroxyethyl)benzene-1,2-diol |
| Formula | C8 H10 O3 |
| Molecular Weight | 154.163 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | OCCc1ccc(O)c(O)c1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCO)O)O |
| Canonical SMILES | CACTVS | 3.385 | OCCc1ccc(O)c(O)c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 |
| InChIKey | InChI | 1.03 | JUUBCHWRXWPFFH-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB12771 |
|---|---|
| Name | Hydroxytyrosol |
| Groups | investigational |
| Description | Hydroxytyrosol has been used in trials studying the prevention of Breast Cancer. |
| Synonyms | Hydroxytyrosol |
| Categories |
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| CAS number | 10597-60-1 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 82755 |
| ChEMBL | CHEMBL1950045 |
| ChEBI | CHEBI:68889 |
