Name: Name:1,5-Bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one
Brand: AABLOCKS
SKU: AA00C941
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00C941

Chemical Name: 1,5-Bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one

CAS Number: 38552-39-5

Molecular Formula: C21H22O5

Molecular Weight: 354.3964

MDL Number: MFCD00136520

SMILES: COc1cc(/C=C/C(=O)/C=C/c2ccc(c(c2)OC)OC)ccc1OC

Properties

Form: Solid

MP: 83-85°C

Storage: 2-8℃;

Complexity: 445

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 2

Formal Charge: 0

Heavy Atom Count: 26

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 8

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4

Literature fold

Title: Synthesis and evaluation of curcumin-related compounds for anticancer activity.

Journal: European journal of medicinal chemistry20120701

Title: Dibenzylideneacetone analogues as novel Plasmodium falciparum inhibitors.

Journal: Bioorganic & medicinal chemistry letters20110515

Title: New antitumoral agents I: In vitro anticancer activity and in vivo acute toxicity of synthetic 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one and derivatives.

Journal: Bioorganic & medicinal chemistry20100901

Title: Structure-activity relationship of C5-curcuminoids and synthesis of their molecular probes thereof.

Journal: Bioorganic & medicinal chemistry20100201

Title: Structure-activity relationship studies of curcumin analogues.

Journal: Bioorganic & medicinal chemistry letters20090401

Title: Antitumor agents. 250. Design and synthesis of new curcumin analogues as potential anti-prostate cancer agents.

Journal: Journal of medicinal chemistry20060629

Title: CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site.

Journal: Journal of medicinal chemistry20020214

Title: Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling.

Journal: Journal of medicinal chemistry19981008

38552-39-5 | 1,5-Bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one