Howiinol A
Basic information
- CAS
190848-69-2- Standard SMILES
O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1- InChIKey
HCJURVKKVSCZRL-VTWBULIDSA-N- Molecular formula
- C22H20O6
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.12598835
Overview
Howiinol A has been reported in Marsypopetalum crassum and Marsypopetalum modestum with data available.
Names & identifiers
- Preferred name
- Howiinol A
- IUPAC
- [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
Names & synonyms
Howiinol A[(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate((1R,2R)-2-hydroxy-2-((2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl)-1-phenylethyl) (E)-3-phenylprop-2-enoateGHM10 cpdRefChem:923075190848-69-2GHM-10 cpdCHEMBL1170578D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-
Database identifiers
- CAS
190848-69-2- PubChem CID
- 6440329
- ChEMBL
CHEMBL1170578- Nikkaji
- J2.419.076E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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