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inulicin

inulicin structure

inulicin 

structure
  • CAS No:

    33627-41-7

  • Formula:

    C17H24O5

  • Chemical Name:

    inulicin

  • Synonyms:

    (3aS)-3,3aα,4,5,8,8aα-Hexahydro-4α-hydroxy-6-(3-acetoxypropyl)-5α,7-dimethyl-3-methylene-2H-cyclohepta[b]furan-2-one;(3aS)-6-(3-Acetoxypropyl)-3,3aα,4,5,8,8aα-hexahydro-4α-hydroxy-5α,7-dimethyl-3-methylene-2H-cyclohepta[b]furan-2-one;(3aS,4S,7aR)-5-[(1S)-4-(Acetyloxy)-1-methylbutyl]-3a,4,7,7a-tetrahydro-4-hydroxy-6-methyl-3-methylene-2(3H)-benzofuranone;inulicin;6-(3-acetoxy-propyl)-4-hydroxy-5,7-dimethyl-3-methylene-3,3a,4,5,8,8a-hexahydro-cyclohepta[b]furan-2-one;1-O-Acetylbritannilactone (Inulicin);2(3H)-Benzofuranone,5-[(1S)-4-(acetyloxy)-1-methylbutyl]-3a,4,7,7a-tetrahydro-4-hydroxy-6-methyl-3-methylene-,(3aS,4S,7aR)-;Inulicin(1-O-acetyl Britannilactone)

  • Categories:

    Biochemical Engineering  >  Chinese Herbs

Description

1-O-Acetylbritannilactone is an active compound isolated from Inula Britannica L. 1-O-Acetylbritannilactone inhibits VEGF-mediated activation of Src and FAK. 1-O-Acetylbritannilactone inhibits LPS-induced PGE2 production and COX-2 expression, and NF-κB activation and translocation.

inulicin Basic Attributes

308.37

308.37

White to off-white

Characteristics

72.83000

2.12

1.16

124.0-126.1 °C

481.7±45.0 °C(Predicted)

173.1±22.2 °C

1.521

13.71±0.60(Predicted)

4°C, protect from light

Safety Information

WGK 3

inulicin Use and Manufacturing

Inulicin is a natural product derived from plant source th at finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.

Computed Properties

Molecular Weight:308.4
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:308.16237386
Monoisotopic Mass:308.16237386
Topological Polar Surface Area:72.8
Heavy Atom Count:22
Complexity:519
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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