BIAdb (R)-N-Methylcoclaurine 3106

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BIAdb (R)-N-Methylcoclaurine 3106
Systematic (IUPAC) name
(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Identifiers
CAS number	?
ATC code	?
PubChem	440595
Chemical data
Formula	C18H21NO3
Mol. mass	299.36424
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Cyclea peltata

Function

Unknown

General Properties

*Molecular Weight

299.36424

*Exact Mass

299.152144

*Molecular Formula

C₁₈H₂₁NO₃

*IUPAC NAME

(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)O)OC

*XLogP

3

*Hydrogen bond donor

2

*Hydrogen bond acceptor

4

*Rotational Bond Count

3

*Topological Polar Surface Area

52.9

External Links

• Pubchem

• KEGG

Link to BIAdb Database