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Geraniin

Geraniin structure

CAS No:
60976-49-0
Formula:
C41H28O27
Chemical Name:
Geraniin
Synonyms:
β-D-Glucopyranose,cyclic 2→7:4→5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate),stereoisomer;Geraniin;Geraniin (b form);NSC 359346;81856-90-8
Categories:
Natural Products > Phenols

Description

Geraniin is a TNF-α releasing inhibitor with numerous activities including anticancer, anti-inflammatory, and anti-hyperglycemic activities, with an IC50 of 43 μM.

Geraniin Basic Attributes

Molecular Weight：

180.15588

Exact Mass：

952.64

HScode：

2932999099

Characteristics

PSA：

450.25000

XLogP3：

-1.10150

Density：

2.3±0.1 g/cm3

Refractive Index：

1.948

Drug Information

MeSH Entry Terms：

Geraniin

Computed Properties

Molecular Weight:952.6
XLogP3:-0.6
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:3
Exact Mass:952.08179561
Monoisotopic Mass:952.08179561
Topological Polar Surface Area:450
Heavy Atom Count:68
Complexity:2080
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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