Basic information
- CAS
83864-77-1- Standard SMILES
C=CCc1ccc(Oc2cc(/C=C/C=O)cc(O)c2O)cc1- InChIKey
KGHJODCHEIEYBP-HWKANZROSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Overview
Obovatal has been reported in Magnolia officinalis and Magnolia obovata with data available.
Names & identifiers
- Preferred name
- Obovatal
- IUPAC
- (E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal
- English name
- obovatal
- Molecular formula
- C18H16O4
- Molecular weight
- 0
Names & synonyms
Obovatal83864-77-13,4-Dihydroxy-5-(4-allylphenoxy)cinnamic aldehyde(E)-3-[3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl]prop-2-enal(E)-3-(3,4-dihydroxy-5-(4-prop-2-enylphenoxy)phenyl)prop-2-enalRefChem:167394CHEMBL242530(E)-3-(3-(4-Allylphenoxy)-4,5-dihydroxyphenyl)acrylaldehydeSCHEMBL3383286BDBM502104553-(3-(4-allylphenoxy)-4,5-dihydroxyphenyl)acrylaldehyde2-Propenal, 3-(3,4-dihydroxy-5-(4-(2-propenyl)phenoxy)phenyl)-, (E)-
Show more names
(E)-3-[3,4-Dihydroxy-5-[4-(2-propenyl)phenoxy]phenyl]propenal
Database identifiers
- CAS
83864-77-1- PubChem CID
- 6439677
- ChEMBL
CHEMBL242530- Nikkaji
- J193.305A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Chemistry & industry
Applications
DescriptionObovatal is a biphenyl ether lignan from the leaves of Magnolia obovata Thunb
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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