Basic information
- CAS
97180-28-4- Standard SMILES
CCC(C)C(=O)Oc1ccc(OC)cc1C1OC1C- InChIKey
VXWVNVFBEJTTKA-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
Thellungianin G is a member of phenols and a benzoate ester.
Names & identifiers
- Preferred name
- Thellungianin G
- IUPAC
- [4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2-methylbutanoate
Names & synonyms
Thellungianin G4-methoxy-2-(3-methyloxiran-2-yl)phenyl 2-methylbutanoate2-(1',2'-epoxy)-4-methoxyphenyl-2-methylbutyrateRefChem:932920Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester[4-methoxy-2-(3-methyloxiran-2-yl)phenyl] 2-methylbutanoate97180-28-4epoxypseudoisoeugenol-2-methylbutyrateEpoxypseudobisoeugenyl-2-methylbutyrate2-(1',2'-Epoxypropyl)-4-methoxyphenyl 2-methylbutanoateSCHEMBL301054574-Methoxy-2-(3-methyl-2-oxiranyl)phenyl 2-methylbutanoate
Show more names
DTXSID10337854CHEBI:174474VXWVNVFBEJTTKA-UHFFFAOYSA-NEpoxypseudoisoeugenol 2-methylbutanoateepoxypseudoisoeugenol-2-methylbutanoate4-Methoxy-2-(3-methyl-2-oxiranyl)phenyl 2-methylbutanoate #
Database identifiers
- CAS
97180-28-4- PubChem CID
- 545130
- DTXSID
DTXSID10337854- ChEBI
CHEBI:174474- Nikkaji
- J462.720B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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