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Pogostone

Pogostone structure

CAS No:
23800-56-8
Formula:
C12H16O4
Chemical Name:
Pogostone
Synonyms:
2H-Pyran-2-one,4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-;2H-Pyran-2-one,4-hydroxy-6-methyl-3-(4-methylvaleryl)-;4-Hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one;Dhelwangin;Pogostone;4-Hydroxy-6-methyl-3-(4-methylpentanoyl)-2-pyrone
Categories:
Natural Products > Phenols

Description

Pogostone is isolated from patchouli with anti-bacterial and anti-cancer activities. Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 µg/ml [2]. Pogostone induces cell apoptosis and autophagy[2].

Solid

Dhelwangin is an aromatic ketone.

Pogostone Basic Attributes

Molecular Weight：

224.254

Exact Mass：

224.25

Characteristics

PSA：

63.6

XLogP3：

2.27270

Density：

1.185±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

41 - 41.6 °C

Boiling Point：

348.2±42.0℃ (760 Torr)

Flash Point：

129.9±21.4℃

Water Solubility：

2749 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

Pogostone

Computed Properties

Molecular Weight:224.25
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:224.10485899
Monoisotopic Mass:224.10485899
Topological Polar Surface Area:63.6
Heavy Atom Count:16
Complexity:375
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 23800-56-8

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