Sinomenine
(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Molecular Identity
Sinomenine
(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
PubChem CID: 5459308
Sinomenine is a morphinane alkaloid.
2D Structure
Properties
C19H23NO4
Molecular Formula
329.40
Molecular Weight
g/mol
329.1627
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
59
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OCIsomeric SMILES
SMILES: CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OCSynonyms(20)
Sinomenine115-53-7KukolineCucolineCoculineSabianine A63LT81K70N(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-onemorphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, (9alpha,13alpha,14alpha)-cuculine(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo(7.5.3.01,10.02,7)heptadeca-2(7),3,5,11-tetraen-13-oneRefChem:1831694-hydroxy-3,7-dimethoxy-17-methylmorphin-7-en-6-one204-094-6CCRIS 1550
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sinomenine
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