Damsine
Basic information
- CAS
1216-42-8- Standard SMILES
C=C1C(=O)OC2C1CCC(C)C1CCC(=O)C12C- InChIKey
HPJYKMSFRBJOSW-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Damsine has been reported in Parthenium confertum, Ambrosia hispida, and other organisms with data available.
Names & identifiers
- Preferred name
- Damsine
- IUPAC
- 6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
- English name
- damsin
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
DamsineAmbrosin, dihydro-NSC852496,9a-Dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione6,9a-dimethyl-3-methylene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dionedamsin(3aS,6aβ,9bβ)-Dodecahydro-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dioneAzuleno[4,5-b]furan-2,9-dione, decahydro-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,9aR,9bR)-(3aS,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
Database identifiers
- CAS
1216-42-8- PubChem CID
- 457960
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 102 °C · 102 °C
- Boiling point
- 407.3 · 407.3±38.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionDamsin is a biochemical, can be isolated from Ambrosia arborescens on cell cultures, has multiple anticancer effects.
Additional notes
DefinitionChEBI: Damsin is a sesquiterpene lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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