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Eckol

Eckol structure

CAS No:
88798-74-7
Formula:
C18H12O9
Chemical Name:
Eckol
Synonyms:
Dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol,4-(3,5-dihydroxyphenoxy)-;4-(3,5-Dihydroxyphenoxy)dibenzo[b,e][1,4]dioxin-1,3,6,8-tetrol;Eckol;4-(3,5-Dihydroxyphenoxy)dibenzo[b,e][1,4]dioxine-1,3,6,8-tetraol
Categories:
Organic Chemistry > Dioxins and Dioxin-like Compounds

Description

Eckol is a phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It derives from a phloroglucinol.

Eckol Basic Attributes

Molecular Weight：

372.28

Exact Mass：

372.28

UNII：

4A5E8354UB

DSSTox ID：

DTXSID40237333

Characteristics

PSA：

149 Å²

Density：

1.778±0.06 g/cm3

Melting Point：

243-244 °C

Boiling Point：

685.5±55.0 °C(Predicted)

PKA：

8.06±0.20

Drug Information

MeSH Entry Terms：

1-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin

Computed Properties

Molecular Weight:372.3
XLogP3:2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:372.04813196
Monoisotopic Mass:372.04813196
Topological Polar Surface Area:149
Heavy Atom Count:27
Complexity:509
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes