CID 101293580
Basic information
- CAS
596-58-7- Standard SMILES
COC1=C[C@H]2[C@@H]3Cc4c(-c5cc(OC)c(O)c6c5C[C@H]5[C@@H]7C=C(OC)C(=O)C[C@@]67CCN5C)cc(OC)c(O)c4[C@]2(CCN3C)CC1=O- InChIKey
AXVVWZONCVUAPP-ATNGGCFCSA-N- Molecular formula
- C38H44N2O8
- Average molar mass
- 656.8 g/mol
Names & identifiers
- Preferred name
- CID 101293580
- IUPAC
- (1R,9S,10R)-3-hydroxy-6-[(1R,9S,10R)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-6-yl]-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
- English name
- Disinomenine
- Molecular formula
- C38H44N2O8
- Molecular weight
- 656.76
Names & synonyms
DisinomeninDisinomenineBisinomenineDehydrosinomenin(+)-4,4'-Dihydroxy-3,3',7,7'-tetramethoxy-17,17'-dimethyl[1,1'-bi(7,8-didehydromorphinan)]-6,6'-dione[1,1'-Bimorphinan]-6,6'-dione, 7,7',8,8'-tetradehydro-4,4'-dihydroxy-3,3',7,7'-tetramethoxy-17,17'-dimethyl-, (1S,9α,13α,14α)-(9'α,13'α,14'α)-
Database identifiers
- CAS
596-58-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,280
Chemistry & industry
Applications
Uses1,1′-Disinomenine is an alkaloid that can be isolated from the stems of Sinomenium acutum. 1,1′-Disinomenine shows weak inhibition against A549 and Hela cells[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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