Mallotolerin
Basic information
- CAS
102904-17-6- Standard SMILES
C=C(C)C(O)Cc1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c(C(=O)CCC)c1O- InChIKey
AELVJBIXVGTXMM-UHFFFAOYSA-N- Molecular formula
- C26H32O9
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.20463259
Overview
Mallotolerin has been reported in Mallotus japonicus and Lotus japonicus with data available.
Names & identifiers
- Preferred name
- Mallotolerin
- IUPAC
- 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]butan-1-one
Names & synonyms
Mallotolerin102904-17-61-Butanone, 1-(3-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-2,4,6-trihydroxy-5-(2-hydroxy-3-methyl-3-butenyl)phenyl)1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]butan-1-one1-(3-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl)butan-1-oneRefChem:155431CHEMBL454326DTXSID409081171-{3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)phenyl}butan-1-one1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methyl-3-butenyl)phenyl]-1-butanone
Database identifiers
- CAS
102904-17-6- PubChem CID
- 190458
- DTXSID
DTXSID40908117- ChEMBL
CHEMBL454326- Nikkaji
- J277.674J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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