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33390-41-9 molecular structure
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1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one

ChemBase ID: 305422
Molecular Formular: C23H24O5
Molecular Mass: 380.43366
Monoisotopic Mass: 380.16237387
SMILES and InChIs

SMILES:
c12c(oc3c(c1=O)c(c(c(c3CC=C(C)C)O)CC=C(C)C)O)c(ccc2)O
Canonical SMILES:
CC(=CCc1c(O)c(CC=C(C)C)c(c2c1oc1c(O)cccc1c2=O)O)C
InChI:
InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
InChIKey:
GVQOVMKBYJKZSY-UHFFFAOYSA-N

Cite this record

CBID:305422 http://www.chembase.cn/molecule-305422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,5-trihydroxy-2,4-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
IUPAC Traditional name
8-deoxygartanin
Synonyms
8-Deoxygartanin
CAS Number
33390-41-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01908
Data Source Data ID Price
BioBioPha
BBP01908 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.1091833  H Acceptors
H Donor LogD (pH = 5.5) 6.14557 
LogD (pH = 7.4) 5.6123543  Log P 6.1560783 
Molar Refractivity 111.2446 cm3 Polarizability 41.72275 Å3
Polar Surface Area 86.99 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Yellow powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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