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Euparin

Euparin structure

CAS No:
532-48-9
Formula:
C13H12O3
Chemical Name:
Euparin
Synonyms:
Ethanone,1-[6-hydroxy-2-(1-methylethenyl)-5-benzofuranyl]-;Ketone,6-hydroxy-2-isopropenyl-5-benzofuranyl methyl;1-[6-Hydroxy-2-(1-methylethenyl)-5-benzofuranyl]ethanone;Euparin;Euparine;1-[6-Hydroxy-2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethan-1-one
Categories:
Natural Products > Phenols

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Description

ChEBI: A natural product found in Eupatorium cannabinum subspecies asiaticum.

Euparin is a member of benzofurans. It has a role as a metabolite.

Euparin Basic Attributes

Molecular Weight：

216.236

Exact Mass：

216.23

UNII：

46YA021ENM

DSSTox ID：

DTXSID40201256

HScode：

2932999099

Characteristics

PSA：

50.4

XLogP3：

3.37410

Density：

1.187g/cm3

Melting Point：

118.5 °C @ Solvent: Ligroine

Boiling Point：

258.3ºC at 760mmHg

Flash Point：

110ºC

Refractive Index：

1.602

Collision Cross Section：

143.2 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

MeSH Entry Terms：

euparin

Computed Properties

Molecular Weight:216.23
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.078644241
Monoisotopic Mass:216.078644241
Topological Polar Surface Area:50.4
Heavy Atom Count:16
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes