8-Deoxygartanin
Basic information
- CAS
33390-41-9- Standard SMILES
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O- InChIKey
GVQOVMKBYJKZSY-UHFFFAOYSA-N- Molecular formula
- C23H24O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.16237386
Overview
8-Desoxygartanin is a member of xanthones.
Names & identifiers
- Preferred name
- 8-Deoxygartanin
- IUPAC
- 1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
- English name
- 8-desoxygartanin
- Molecular formula
- C23H24O5
- Molecular weight
- 380.43
Names & synonyms
8-DEOXYGARTANIN33390-41-91,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-oneDTXSID101316906RefChem:107054DTXCID4017467288-Desoxygartanin1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9h-xanthen-9-oneMFCD09264646CHEMBL488606DeoxygartininNSC692944
Show more names
NSC 6929448-Deoxygartanin, 10 mM in DMSO8-Desoxygartanin, 98%, from Garcinia mangostana L.1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)xanthone2,4-Bis(3-methyl-2-butenyl)-1,3,5-trihydroxy-9H-xanthene-9-one1,3,5-Trihydroxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
9H-Xanthen-9-one, 1,3,5-trihydroxy-2,4-bis(3-methyl-2-butenyl)-8-Desoxygartanin [M+H]+orb1297477SCHEMBL17056909SCHEMBL30435907SCHEMBL30977126CHEBI:175007HY-N6009
Database identifiers
- CAS
33390-41-9- PubChem CID
- 392450
- DTXSID
DTXSID101316906- ChEMBL
CHEMBL488606- ChEBI
CHEBI:175007- Nikkaji
- J167.441B
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 631
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point165.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 595.7 · 595.7±50.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 7.46 · 7.46±0.20(Predicted)
- color
- Light yellow to yellow
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses8-Deoxygartanin is an antiproliferative agent. Pancreatic lipase inhibitor.
Additional notes
DefinitionChEBI: 8-Desoxygartanin is a member of xanthones.
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