Conioidine A
Basic information
- CAS
154887-98-6- Standard SMILES
C/C=C(\C)C(=O)OC(C)CC1CCCN1C(=O)CCCCCCCCC- InChIKey
TXTAPNOLOCQVRJ-UHFFFAOYSA-N- Molecular formula
- C22H39NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.29299411
Overview
structure given in first source; isolated from Chamaesaracha conioides; binds to DNA
Names & identifiers
- Preferred name
- Conioidine A
- IUPAC
- 1-(1-decanoylpyrrolidin-2-yl)propan-2-yl (E)-2-methylbut-2-enoate
- English name
- conioidine A
- Molecular formula
- C22H39NO3
- Molecular weight
- 365.55
Names & synonyms
Conioidine A154887-98-61-(1-decanoylpyrrolidin-2-yl)propan-2-yl (E)-2-methylbut-2-enoateRefChem:127749CHEMBL5181302-Butenoic acid, 2-methyl-, 1-methyl-2-(1-(1-oxodecyl)-2-pyrrolidinyl)ethyl ester2-Butenoic acid, 2-methyl-, 1-methyl-2-[1-(1-oxodecyl)-2-pyrrolidinyl]ethyl ester (9CI)
Database identifiers
- CAS
154887-98-6- PubChem CID
- 6440932
- ChEMBL
CHEMBL518130
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 481.2 · 481.2±18.0 °C(Predicted)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- pka
- -0.84 · -0.84±0.40(Predicted)
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Related reactions
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Compound notes
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