Basic information
- CAS
58189-33-6- Standard SMILES
COc1c(OC)c2c3c(nccc3c1OC)-c1cc(=O)c(OC)ccc1-2- InChIKey
UNLMKMRFVJZAEV-UHFFFAOYSA-N- Molecular formula
- C20H17NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.11067264
Overview
Imerubrine has been reported in Pericampylus glaucus and Abuta rufescens with data available.
Names & identifiers
- Preferred name
- Imerubrine
- IUPAC
- 5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
- English name
- imerubrine
- Molecular formula
- C20H17NO5
- Molecular weight
- 351.35
Names & synonyms
Imerubrine58189-33-6DTXSID302069125,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one5,14,15,16-tetramethoxy-10-azatetracyclo(7.7.1.02,8.013,17)heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-oneRefChem:147940DTXCID601294036,7,8-trimethoxy-2-azatetracyclo(7.6.1.05,16.010,15)hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ol10H-Dibenzo(de,h)quinolin-10-one, 4,5,6,11-tetramethoxy-4,5,6,9-Tetramethoxy-10H-azuleno[1,2,3-ij]isoquinolin-10-oneNSC785144NSC-785144
Show more names
10H-Azuleno[1,2,3-ij]isoquinolin-10-one, 4,5,6,9-tetramethoxy-
Database identifiers
- CAS
58189-33-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 682
Chemistry & industry
Applications
DescriptionA further alkaloid obtained from the stems of Abuta imene and A. rufescens, this base has been shown to possess the structure given above.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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