inulicin
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inulicin
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CAS No:
33627-41-7
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Formula:
C17H24O5
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Chemical Name:
inulicin
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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)
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CAS No:
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.
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
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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