BIAdb Xylopinine 3499

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BIAdb Xylopinine 3499
Systematic (IUPAC) name
(13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	226520
Chemical data
Formula	C21H25NO4
Mol. mass	355.4275
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

[edit] Description

[edit] Source

Croton hemiargyreus

[edit] Function

Adrenergic alpha-blocker

[edit] General Properties

*Molecular Weight

355.4275

*Exact Mass

355.178358

*Molecular Formula

C₂₁H₂₅NO₄

*IUPAC NAME

(13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

*Canonical Smiles

COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC

*Isomeric Smiles

COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC

*XLogP

3.2

*Hydrogen bond donor

0

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

40.2

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database