ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

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Parameters Provided:

name.synonym = 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=2%2C5-Cyclohexadiene-1%2C4-dione%2C+2%2C5-dihydroxy-3-undecyl-%3B+2%2C5-Dihydroxy-3-undecyl-1%2C4-benzoquinone%3B+2%2C5-Dihydroxy-3-undecyl-2%2C5-cyclohexadiene-1%2C4-dione%3B+2%2C5-dihydroxy-3-undecyl-p-benzoquinone%3B+BRN+1885786%3B+C17H26O4%3B+EINECS+208-979-8%3B+Embelic+acid%3B+Embelin&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin" }); </script>