Dehydroglaucine
Basic information
- CAS
22212-26-6- Standard SMILES
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C- InChIKey
RZUHGAKUNBFQJS-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Overview
Didehydroglaucine has been reported in Corydalis yanhusuo, Corydalis turtschaninovii, and other organisms with data available.
Names & identifiers
- Preferred name
- Dehydroglaucine
- IUPAC
- 4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
- English name
- Dehydroglaucine
- Molecular formula
- C21H23NO4
- Molecular weight
- 353.41
Names & synonyms
Dehydroglaucine4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1,3,5,7,9(17),13,15-heptaeneRefChem:108306538726-64-622212-26-6DidehydroglaucineTNP001644H-Dibenzo(de,g)quinoline, 5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-HMS1544E041,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4h-dibenzo[de,g]quinolineTimTec1_003612
Show more names
Dehdroglaucine6a,7-Didehydroglaucine5,6-Dihydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline4H-Dibenzo[de,g]quinoline,5,6-dihydro-1,2,9,10-tetramethoxy-6-methyl-
orb1684659CHEMBL1412163SCHEMBL14029309SCHEMBL30631269DTXSID30176762HY-N2544XAA21226NSC708924
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Melting point
- 131 · 131-133℃ (methanol )
- Boiling point
- 539.9 · 539.9±50.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3 (20 ºC 760 Torr)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- pka
- 3.26 · 3.26±0.20(Predicted)
- color
- Off-white to light yellow
Chemistry & industry
Applications
UsesDehydroglaucine is a potent antimicrobial alkaloid[1].
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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