Purpureine
Basic information
- CAS
19775-47-4- Standard SMILES
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3- InChIKey
KMLPLPOAFAPFFE-UHFFFAOYSA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Overview
Purpureine has been reported in Thalictrum filamentosum, Thalictrum cultratum, and other organisms with data available.
Names & identifiers
- Preferred name
- Purpureine
- IUPAC
- 1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Names & synonyms
PURPUREINE19775-47-4ThalicsimidinThalicsimidineNSC141547NSC 1415471,2,3,9,10-pentamethoxyaporphineNSC-1415474H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-, (S)-
Database identifiers
- CAS
19775-47-4- PubChem CID
- 98473
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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