Basic information
- CAS
24445-13-4- Standard SMILES
CC(=O)c1c[nH]cc1CO- InChIKey
ZCTFIKLDSSVBAL-UHFFFAOYSA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Overview
Verrucarin E has been reported in Albifimbria verrucaria and Myrothecium verrucaria with data available.
Names & identifiers
- Preferred name
- Verrucarin E
- IUPAC
- 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]ethanone
- English name
- Ethanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]- (9CI)
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
Verrucarin E24445-13-44-Acetyl-3-hydroxymethylpyrrole1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]ethanoneM8M1G6524ENSC-270675DTXSID00179205Ethanone, 1-(4-(hydroxymethyl)-1H-pyrrol-3-yl)-Ethanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-1-(4-(Hydroxymethyl)-1H-pyrrol-3-yl)ethanoneRefChem:194017DTXCID90101696
Show more names
3-Acetyl-4-hydroxymethyl-1H-pyrrole3-Acetyl-4-(hydroxymethyl)-1H-pyrrole1-(4-Hydroxymethyl-1H-pyrrol-3-yl)ethanoneEthanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]- (9CI)
UNII-M8M1G6524ENSC 2706751-[4-(hydroxymethyl)-1H-pyrrol-3-yl]ethan-1-oneCHEMBL1966107NSC270675AKOS006347276NCI60_002213DB-276267
Database identifiers
- CAS
24445-13-4- PubChem CID
- 100243
- DTXSID
DTXSID00179205
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- FDA UNII
- 8 M1G6524E · M8M1G6524E
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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