Basic information
- CAS
180387-79-5- Standard SMILES
COc1cc(/C=C(\Oc2ccc(/C=C/C(=O)O)cc2OC)C(=O)O)ccc1O- InChIKey
GGCXWTMEZZGUFT-ZMCAKAGVSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10016754
Overview
4-[[(E)-1-Carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl]oxy]-3-methoxy-trans-cinnamic acid has been reported in Hordeum vulgare, Avena, and Fatsia japonica with data available.
Names & identifiers
- Preferred name
- 4-(((E)-1-Carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl)oxy)-3-methoxy-trans-cinnamic acid
- IUPAC
- (Z)-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
- English name
- 8-O-4-Diferulicacid
- Molecular formula
- C20H18O8
- Molecular weight
- 386.35212
Names & synonyms
4-[[(E)-1-Carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl]oxy]-3-methoxy-trans-cinnamic acid(Z)-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid4-(((E)-1-Carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl)oxy)-3-methoxy-trans-cinnamic acid(Z)-2-(4-((E)-2-carboxyethenyl)-2-methoxyphenoxy)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acidRefChem:286251180387-79-5SCHEMBL26451566DTXSID901349276
Database identifiers
- CAS
180387-79-5- PubChem CID
- 10249540
- DTXSID
DTXSID901349276- Nikkaji
- J745.120B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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