Basic information
- CAS
64675-27-0- Standard SMILES
O=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c2c(c1O)Cc1ccccc1O2- InChIKey
IWPNHPPGEPHKBZ-UHFFFAOYSA-N- Molecular formula
- C29H24O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.16237386
Overview
Chamuvaritin is a member of dihydrochalcones.
Names & identifiers
- Preferred name
- Chamuvaritin
- IUPAC
- 1-[1,3-dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenylpropan-1-one
- English name
- chamuvaritin
- Molecular formula
- C29H24O5
- Molecular weight
- 452.5
Names & synonyms
Chamuvaritin64675-27-01-(1,3-Dihydroxy-4-((2-hydroxyphenyl)methyl)-9H-xanthen-2-yl)-3-phenyl-1-propanone1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone1-Propanone, 1-(1,3-dihydroxy-4-((2-hydroxyphenyl)methyl)-9H-xanthen-2-yl)-3-phenyl-RefChem:1250071-[1,3-dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenylpropan-1-one1-{1,3-DIHYDROXY-4-[(2-HYDROXYPHENYL)METHYL]-9H-XANTHEN-2-YL}-3-PHENYLPROPAN-1-ONECHAMUVARITIN ISCHEMBL8571970SCHEMBL31571164DTXSID10983299
Show more names
1-[1,3-Dihydroxy-4-(2-hydroxybenzyl)-9H-xanthene-2-yl]-3-phenyl-1-propanone1-Propanone, 1-[1,3-dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-
CHEBI:137163LMPK12120473NSC295673NSC 295673NSC-295673
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Physicochemical properties
- Boiling point
- 707.26 · 707.260±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.59 · 8.590±0.20(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Chamuvaritin is a member of dihydrochalcones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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