BIAdb Cephaelin 1710

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{{Drugbox | IUPAC_name =(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol | PubChem = 442195 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₈H₃₈N₂O₄ | molecular_weight = 466.61232 | smiles = CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

[edit] Source

Dorstenia contrajerva

[edit] Function

Anti-amoebic

[edit] General Properties

*Molecular Weight

466.61232

*Exact Mass

466.283158

*Molecular Formula

C₂₈H₃₈N₂O₄

*IUPAC NAME

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

*Canonical Smiles

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC

*Isomeric Smiles

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC

*XLogP

4.4

*Hydrogen bond donor

2

*Hydrogen bond acceptor

6

*Rotational Bond Count

6

*Topological Polar Surface Area

63.2

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database