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Coclaurine

Coclaurine structure

CAS No:
486-39-5
Formula:
C17H19NO3
Chemical Name:
Coclaurine
Synonyms:
7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-,(1S)-;Coclaurine;7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-,(S)-;(1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol;(S)-1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline;(S)-1,2,3,4-Tetrahydro-1-(p-hydroxybenzyl)-6-methoxy-7-isoquinolinol;Machiline;Coclaurin;(S)-Coclaurine;(-)-Coclaurine
Categories:
Natural Products > Alkaloids

Description

Coclaurine is a class of tetrahydroisoquinoline alkaloids isolated from Sarcopetalum harveyanum. Coclaurine is a nicotinic acetylcholine receptor (nAChRs) antagonist[1][2].

(S)-coclaurine is the (S)-enantiomer of coclaurine. It is a conjugate base of a (S)-coclaurinium. It is an enantiomer of a (R)-coclaurine.

Coclaurine Basic Attributes

Molecular Weight：

285.343

Exact Mass：

285.34

UNII：

CW1576313Y

DSSTox ID：

DTXSID60197561

Characteristics

PSA：

61.7

XLogP3：

1.72

Density：

1.2±0.1 g/cm3

Melting Point：

220 °C

Boiling Point：

496.9±45.0 °C at 760 mmHg

Flash Point：

254.3±28.7 °C

Refractive Index：

1.621

Vapor Pressure：

1.69E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

1(R)-coclaurine

Computed Properties

Molecular Weight:285.34
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:285.13649347
Monoisotopic Mass:285.13649347
Topological Polar Surface Area:61.7
Heavy Atom Count:21
Complexity:330
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Coclaurine

CAS No.: 486-39-5

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CAS No.: 486-39-5

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Guide of Coclaurine

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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Coclaurine

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