Basic information
- CAS
30891-89-5- Standard SMILES
Cc1cccc2c1C(=O)C1C(CCN3CCCC13)O2- InChIKey
DXTYYNIKCKARPP-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Overview
Elaeocarpine has been reported in Elaeocarpus polydactylus, Elaeocarpus ganitrus, and other organisms with data available.
Names & identifiers
- Preferred name
- 11-Methyl-1,2,3,5,6,6a,12a,12b-octahydro-12H-(1)benzopyrano(2,3-g)indolizin-12-one
- IUPAC
- 11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
Names & synonyms
DTXSID8095306511-Methyl-1,2,3,5,6,6a,12a,12b-octahydro-12H-(1)benzopyrano(2,3-g)indolizin-12-one11-Methyl-1,2,3,5,6,6a,12a,12b-octahydro-12H-[1]benzopyrano[2,3-g]indolizin-12-oneRefChem:1057370DTXCID801381128IsoeleocarpineAT 494AT 495NSC131811NSC131813NSC-131811NSC-131813
Database identifiers
- CAS
30891-89-5、30891-90-8- PubChem CID
- 280286
- DTXSID
DTXSID80953065
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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