BIAdb Coclaurine 1789

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BIAdb Coclaurine 1789
Systematic (IUPAC) name
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Identifiers
CAS number	?
ATC code	?
PubChem	160487
Chemical data
Formula	C17H19NO3
Mol. mass	285.33766
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

Cocculus laurifolius

Function

Anti-HIV

General Properties

*Molecular Weight

285.33766

*Exact Mass

285.136493

*Molecular Formula

C₁₇H₁₉NO₃

*IUPAC NAME

(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol

*Canonical Smiles

COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O

*Isomeric Smiles

COC1=C(C=C2[C@@H](NCCC2=C1)CC3=CC=C(C=C3)O)O

*XLogP

2.6

*Hydrogen bond donor

3

*Hydrogen bond acceptor

4

*Rotational Bond Count

3

*Topological Polar Surface Area

61.7

External Links

• Pubchem

• KEGG

Link to BIAdb Database