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(+)-Heraclenin

(+)-Heraclenin structure

(+)-Heraclenin 

structure
  • CAS No:

    2880-49-1

  • Formula:

    C16H14O5

  • Chemical Name:

    (+)-Heraclenin

  • Synonyms:

    7H-Furo[3,2-g][1]benzopyran-7-one,9-[[(2R)-3,3-dimethyl-2-oxiranyl]methoxy]-;7H-Furo[3,2-g][1]benzopyran-7-one,9-(2,3-epoxy-3-methylbutoxy)-,(R)-(+)-;7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3,3-dimethyloxiranyl)methoxy]-,(R)-;Heraclenin;7H-Furo[3,2-g][1]benzopyran-7-one,9-[[(2R)-3,3-dimethyloxiranyl]methoxy]-;9-[[(2R)-3,3-Dimethyl-2-oxiranyl]methoxy]-7H-furo[3,2-g][1]benzopyran-7-one;Prangenin;(+)-Heraclenin;23459-97-4;27480-37-1

  • Categories:

    Natural Products  >  Coumarin and Derivatives

Description

Heraclenin, a natural furanocoumarin, isolated from the root parts of the plant Prangos pabularia. Heraclenin significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT)[1].

(+)-Heraclenin Basic Attributes

286.282

286.28

G71S84CX12

DTXSID40182990

Characteristics

61.2

1.67

1.3±0.1 g/cm3

97 °C @ Solvent: Ethanol

471.4±45.0 °C at 760 mmHg

238.9±28.7 °C

1.606

4.67E-09mmHg at 25°C

Drug Information

heraclenin

Computed Properties

Molecular Weight:286.28
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:286.08412354
Monoisotopic Mass:286.08412354
Topological Polar Surface Area:61.2
Heavy Atom Count:21
Complexity:471
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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