Catalog No.:AA00GSBK

92496-89-4 | 4',3,4-TRIHYDROXYCHALCONE

Name: Name:4',3,4-TRIHYDROXYCHALCONE
Brand: AABLOCKS
SKU: AA00GSBK
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00GSBK

Chemical Name:

4',3,4-TRIHYDROXYCHALCONE

CAS Number:

92496-89-4

Molecular Formula:

C15H12O4

Molecular Weight:

256.2534

MDL Number:

MFCD00017400

SMILES:

C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)O)O)O

Properties

Computed Properties

Complexity:

331

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

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 chemistry 20020214

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

Journal: Journal of medicinal chemistry 19981008

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Tags:92496-89-4 Molecular Formula|92496-89-4 MDL|92496-89-4 SMILES|92496-89-4 4',3,4-TRIHYDROXYCHALCONE

Catalog No.: AA00GSBK

92496-89-4 | 4',3,4-TRIHYDROXYCHALCONE

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00GSBK

Chemical Name: 4',3,4-TRIHYDROXYCHALCONE

CAS Number: 92496-89-4

Molecular Formula: C15H12O4

Molecular Weight: 256.2534

MDL Number: MFCD00017400

SMILES: C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)O)O)O

Properties

Complexity: 331

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.1

Literature fold

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