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(+)-Decursinol

(+)-Decursinol structure

CAS No:
23458-02-8
Formula:
C14H14O4
Chemical Name:
(+)-Decursinol
Synonyms:
2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one,7,8-dihydro-7-hydroxy-8,8-dimethyl-,(7S)-;2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one,7,8-dihydro-7-hydroxy-8,8-dimethyl-,(S)-(+)-;2H,6H-Benzo[1,2-b:5,4-b′]dipyran-2-one,7,8-dihydro-7-hydroxy-8,8-dimethyl-,(S)-;(7S)-7,8-Dihydro-7-hydroxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-2-one;Decursinol;(+)-Decursinol;Smyrinol;Smirinol;(3S)-3-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one;21705-59-9
Categories:
Cosmetic Ingredient > Antioxidant Ingredient

Description

Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].

Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent, an analgesic and a metabolite. It is an organic heterotricyclic compound, a delta-lactone, a secondary alcohol and a cyclic ether.

(+)-Decursinol Basic Attributes

Molecular Weight：

246.261

Exact Mass：

246.26

UNII：

UBI4YB704B

DSSTox ID：

DTXSID70178008

HScode：

2932999099

Characteristics

PSA：

55.8

XLogP3：

1.86740

Density：

1.293g/cm3

Melting Point：

178 °C

Boiling Point：

433.6ºC at 760mmHg

Flash Point：

167.9ºC

Refractive Index：

1.592

Vapor Pressure：

2.74E-08mmHg at 25°C

Drug Information

MeSH：

Compounds or factors that act on a specific enzyme to increase its activity. (See all compounds classified as Enzyme Activators.)

MeSH Entry Terms：

2-butenoic acid, 2-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-7-yl ester, (2Z)-

Computed Properties

Molecular Weight:246.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:246.08920892
Monoisotopic Mass:246.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:387
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (+)-Decursinol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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(+)-Decursinol

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