UCSF

ZINC04252698

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 21 No

Popular Name: (E)-3-(3,4-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (E)-3-(3,4-Dihydroxyphenyl)-1-(2…

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CAS Number: 14917-41-0

Download: MOL2 SDF SMILES Flexibase

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) 2.20 -7 -14.36 5 6 0 118 288.255 3 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 4CGT_ANTMA ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 140 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 140 0.46 Binding ≤ 1μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 140 0.46 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )