BIAdb Higenamine 2275

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BIAdb Higenamine 2275
Systematic (IUPAC) name
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Identifiers
CAS number	?
ATC code	?
PubChem	440988
Chemical data
Formula	C16H17NO3
Mol. mass	271.31108
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

Aconitum japonicum

Function

Thromboxane A(2) antagonist

General Properties

*Molecular Weight

271.31108

*Exact Mass

271.120843

*Molecular Formula

C₁₆H₁₇NO₃

*IUPAC NAME

(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

*Canonical Smiles

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O

*Isomeric Smiles

C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O

*XLogP

2.2

*Hydrogen bond donor

4

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

72.7

External Links

• Pubchem

• KEGG

Link to BIAdb Database