Mallotochromene
Basic information
- CAS
98569-62-1- Standard SMILES
COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)C=C2- InChIKey
DIXWVWLWNGDQEC-UHFFFAOYSA-N- Molecular formula
- C24H26O8
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.16276778
Overview
Mallotochromene is a 1-benzopyran.
Names & identifiers
- Preferred name
- Mallotochromene
- IUPAC
- 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
- English name
- mallotochromene
- Molecular formula
- C24H26O8
- Molecular weight
- 442.45844
Names & synonyms
Mallotochromene98569-62-18-Acetyl-5,7-dihydroxy-6-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2,2-dimethylchromene8Q7ZTX539BDTXSID602437191-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanoneEthanone, 1-(3-((8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methylphenyl)-1-(3-((8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methylphenyl)ethanoneEthanone, 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]-RefChem:155426DTXCID40166210CHEMBL521361
Show more names
8-Acetyl-6-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl-2,2-dimethyl-α-chromene-5,7-diol1-[3-[(8-Acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
AC1L2R8IAC1Q5D3UUNII-8Q7ZTX539BCHEBI:6656SCHEMBL30616016C09013Q154262051-(3-((8-ACETYL-5,7-DIHYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)METHYL)-2,6-DIHYDROXY-4-METHOXY-5-METHYLPHENYL)ETHANONE
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- FDA UNII
- 8 Q7ZTX539B · 8Q7ZTX539B
Chemistry & industry
Additional notes
DefinitionChEBI: Mallotochromene is a 1-benzopyran.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…