BIAdb Ancistrocladine 1151

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BIAdb Ancistrocladine 1151
Systematic (IUPAC) name
(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Identifiers
CAS number	?
ATC code	?
PubChem	161741
Chemical data
Formula	C25H29NO4
Mol. mass	407.50206
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

Ancistrocladus congolensis

Function

Antimalarial

General Properties

*Molecular Weight

407.50206

*Exact Mass

407.209658

*Molecular Formula

C₂₅H₂₉NO₄

*IUPAC NAME

(1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol

*Canonical Smiles

CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC

*Isomeric Smiles

C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC

*XLogP

5

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

60

External Links

• Pubchem

• KEGG

Link to BIAdb Database