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Absinthin

Absinthin structure

CAS No:
1362-42-1
Formula:
C30H40O6
Chemical Name:
Absinthin
Synonyms:
2H-7,13b-Ethenopentaleno[1′′,2′′:6,75′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione,3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-,(3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-;Absinthin;2H-7,13b-Ethenopentaleno[1′′,2′′:6,75′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione,3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-,[3S-(3α,3aα,6β,6aα,6bβ,7α,7aβ,8α,10aβ,11β,13aα,13bα,13cβ,14bβ)]-;(3S,3aS,6S,6aR,6bS,7S,7aR,8S,10aS,11S,13aS,13bR,13cR,14bS)-3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-Hexadecahydro-6,8-dihydroxy-3,6,8,11,14,15-hexamethyl-2H-7,13b-ethenopentaleno[1′′,2′′:6,75′′,4′′:6′,7′]dicyclohepta[1,2-b:1′,2′-b′]difuran-2,12(11H)-dione;NSC 407315;6020-12-8
Categories:
Biochemical Engineering > Chinese Herbs

Description

Absinthin is a structurally unique triterpene, and is responsible for the high bitter value of wormwood. Absinthin is an agonist of the bitter taste receptor hTAS2R46, which reduces cytosolic Ca2+-rises induced by histamine by a receptor-specific mechanism mediated by hTAS2R46[1][2][3].

Absinthin is a dimeric sesquiterpene lactone that is produced by the plant Artemisia absinthium (Wormwood). The bitter tasting constituent of Absinthe. It has a role as a plant metabolite and an anti-inflammatory agent. It is a sesquiterpene lactone, a triterpenoid and an organic heteroheptacyclic compound.

Absinthin Basic Attributes

Molecular Weight：

496.63500

Exact Mass：

496.64

UNII：

OE5992O64P

Characteristics

PSA：

93.06000

XLogP3：

3.80240

Density：

1.29g/cm3

Melting Point：

179-180 °C (decomp) @ Solvent: Diethyl ether

Boiling Point：

700.6ºC at 760mmHg

Flash Point：

230.8ºC

Refractive Index：

1.606

Drug Information

MeSH Entry Terms：

absynthin

Absinthin Use and Manufacturing

Absinthin is an extract from the bitter liquor Absinthe, which owes its taste to substances found in the wormwood plant used in its formulation. Absinthin contributes to this bitter taste through action upon the hTAS2R14 bitter taste receptor.

Computed Properties

Molecular Weight:496.6
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Exact Mass:496.28248899
Monoisotopic Mass:496.28248899
Topological Polar Surface Area:93.1
Heavy Atom Count:36
Complexity:1140
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Absinthin

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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