BIAdb Alangicine 1098

From DrugPedia: A Wikipedia for Drug discovery

Current revision

Show 3-D Structure

Show 2-D Structure

{{Drugbox | IUPAC_name =1-[[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one | PubChem = 5460436 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₈H₃₆N₂O₅ | molecular_weight = 480.59584 | smiles = CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

[edit] Source

Alangium lamarckii

[edit] Function

Antileprotic

[edit] General Properties

*Molecular Weight

480.59584

*Exact Mass

480.262422

*Molecular Formula

C₂₈H₃₆N₂O₅

*IUPAC NAME

1-[[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinolin-6-one

*Canonical Smiles

CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O

*Isomeric Smiles

CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC4=C5C=C(C(=O)C=C5CCN4)OC)OC)OC)O

*XLogP

3.6

*Hydrogen bond donor

2

*Hydrogen bond acceptor

7

*Rotational Bond Count

6

*Topological Polar Surface Area

80.3

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database