Basic information
- CAS
17236-29-2- Standard SMILES
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C)CC2- InChIKey
WUYQEGNOQLRQAQ-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Overview
(R)-Pronuciferine has been reported in Cocculus, Uvaria, and other organisms with data available.
Names & identifiers
- Preferred name
- (R)-Pronuciferine
- IUPAC
- 10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Names & synonyms
17236-29-2(R)-Pronuciferine[8'aR,(+)]-2',3',8',8'a-Tetrahydro-5',6'-dimethoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopenta[ij]isoquinoline]-4-one2',3',8',8'a-Tetrahydro-5',6'-dimethoxy-1'-methylspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-oneChemDiv2_002092SCHEMBL2684479DTXSID201106774HMS1374P02HMS5171I13AKOS000732402AKOS022011456CCG-119547
Show more names
10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one2a(2),3a(2),8a(2),8a(2)a-Tetrahydro-5a(2),6a(2)-dimethoxy-1a(2)-methylspiro[2,5-cyclohexadiene-1,7a(2)(1a(2)H)-cyclopent[ij]isoquinolin]-4-one5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Database identifiers
- CAS
17236-29-2、2128-60-1- PubChem CID
- 628376
- DTXSID
DTXSID201106774- Nikkaji
- J2.288.910I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 539
Experimental & physicochemical properties
Melting Point127 - 129 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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