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(±) -Coclaurine

CAT: 0013-GTR19217951-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217951-01Size:5 mg
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Description
(±) -Coclaurine, a benzylisoquinoline alkaloid isolated from Roemeria refracta, exhibits antioxidant properties. It is utilized in research areas such as oxidative stress and cardiovascular studies, with demonstrated radical scavenging activity in vitro and hypotensive effects in vivo models.
CAS Number
2033-08-1
Smiles
OC1=CC=C (C=C1) CC2NCCC3=CC (OC) =C (O) C=C32
Molecular Formula
C17H19NO3
Molecular Weight
285.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Machiline

(RS)-coclaurine is a coclaurine. It is a conjugate base of a (RS)-coclaurinium.

CAS Number2033-08-1
PubChem CID281691
IUPAC Name1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Molecular FormulaC17H19NO3
Molecular Weight285.34
XLogP2.6
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity330
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
InChIKey
LVVKXRQZSRUVPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Machiline
CAS: 2033-08-1
CID: 281691
Formula: C17H19NO3
MW: 285.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.34
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass285.13649347
Monoisotopic Mass285.13649347
Topological Polar Surface Area61.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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