1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone
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Basic information
- CAS
776325-66-7- Standard SMILES
CC(C)=CCc1c(O)c(O)c2oc3c(O)ccc(O)c3c(=O)c2c1CC=C(C)C- InChIKey
SHZLJVCQGYKZLS-UHFFFAOYSA-N- Molecular formula
- C23H24O6
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.15728848
Overview
1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone has been reported in Garcinia xanthochymus with data available.
Names & identifiers
- Preferred name
- 1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone
- IUPAC
- 3,4,5,8-tetrahydroxy-1,2-bis(3-methylbut-2-enyl)xanthen-9-one
- English name
- 1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone
- Molecular formula
- C23H24O6
- Molecular weight
- 396.43
Names & synonyms
1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone776325-66-73,4,5,8-tetrahydroxy-1,2-bis(3-methylbut-2-enyl)xanthen-9-one3,4,5,8-Tetrahydroxy-1,2-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one3,4,5,8-Tetrahydroxy-1,2-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-oneorb1684022CHEMBL4213880HY-N0985TN24923,4,5,8-Tetrahydroxy-1,2-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9- oneAKOS022184846FS-9030
Show more names
6-Tetrahydroxy-78-diprenylxanthone1,4,5,6-TETRAHYDROXY-7,8-DIPRENY9H-Xanthen-9-one, 3,4,5,8-tetrahydroxy-1,2-bis(3-methyl-2-buten-1-yl)-
DA-69397CS-00161251,4,5,6-tetrahydroxy-7,8-di(3-methylbut-2-enyl)xanthoneB0005-151447
Database identifiers
- CAS
776325-66-7- PubChem CID
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 616.4 · 616.4±55.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 7.43 · 7.43±0.20(Predicted)
Chemistry & industry
Applications
Uses1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone is a xanthone that can be isolated from Garcinia xanthochymus. 1,4,5,6-Tetrahydroxy-7,8-diprenylxanthone shows moderate cytotoxicities against MDA-MB-435S and A549 cell lines with IC50s of 1.3 and 3.86 μg/ml, respectively[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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