UCSF
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Analogs

9214233
9214233
13703988
13703988
4492869
4492869

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Popular Name: (2Z,4E)-5-((S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-((S)-1-Hydroxy-2,6,6-t…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100704-1-O Lactuca Sativa (cluster #1 Of 1), Other Other 5700 0.39 Functional ≤ 10μM
Z50324-2-O Arabidopsis Thaliana (cluster #2 Of 2), Other Other 200 0.49 Functional ≤ 10μM
Z50335-1-O Oryza Sativa (cluster #1 Of 1), Other Other 2100 0.42 Functional ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 5.93 -47.47 1 4 -1 77 263.313 3 ↓
Lo Low (pH 4.5-6) 2.10 3.91 -9.13 2 4 0 75 264.321 3 ↓

Parameters Provided:

annotation.name = Z50335
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z50335' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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