BIAdb Coclaurine 1796

BIAdb Coclaurine 1796
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	?

[edit] Description

Phoebe minutiflora

Anti-HIV

*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