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Zerumbone

Zerumbone structure

CAS No:
471-05-6
Formula:
C15H22O
Chemical Name:
Zerumbone
Synonyms:
2,6,10-Cycloundecatrien-1-one,2,6,9,9-tetramethyl-,(2E,6E,10E)-;Zerumbone;2,6,10-Cycloundecatrien-1-one,2,6,9,9-tetramethyl-,(E,E,E)-;(2E,6E,10E)-2,6,9,9-Tetramethyl-2,6,10-cycloundecatrien-1-one;Z 3902
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Zerumbone is a monocyclic sesquiterpene compound isolated from the rhizomes of Zingiber zerumbet Smith. Zerumbone potently inhibits the activation of Epstein-Barr virus with an IC50 of 0.14 mM. Zerumbone has anti-cancer, antioxidant, anti-inflammatory and anti-proliferative activity[1][2].

Zerumbone Basic Attributes

Molecular Weight：

218.335

Exact Mass：

218.33

Characteristics

PSA：

17.07000

XLogP3：

5.34

Density：

0.9±0.1 g/cm3

Melting Point：

67-69 °C

Boiling Point：

321.6±42.0 °C at 760 mmHg

Flash Point：

133.9±22.8 °C

Refractive Index：

1.468

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

safety instructions：

36/37-60-61

Marks：

Xi,N

Precautionary statement(s)：

P273-P280

Hazard Statements：

H317-H400

Drug Information

MeSH Entry Terms：

zerumbone

Computed Properties

Molecular Weight:218.33
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Exact Mass:218.167065321
Monoisotopic Mass:218.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:354
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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