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92519-91-0 molecular structure
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2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-chromen-4-one

ChemBase ID: 304287
Molecular Formular: C17H14O8
Molecular Mass: 346.28826
Monoisotopic Mass: 346.06886741
SMILES and InChIs

SMILES:
c1(cc(c2c(c1OC)oc(cc2=O)c1c(ccc(c1OC)O)O)O)O
Canonical SMILES:
COc1c(O)ccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)O)O
InChI:
InChI=1S/C17H14O8/c1-23-15-8(19)4-3-7(18)14(15)12-6-10(21)13-9(20)5-11(22)16(24-2)17(13)25-12/h3-6,18-20,22H,1-2H3
InChIKey:
CPFJPTACQDZPLS-UHFFFAOYSA-N

Cite this record

CBID:304287 http://www.chembase.cn/molecule-304287.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,6-dihydroxy-2-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-chromen-4-one
IUPAC Traditional name
ganhuangenin
Synonyms
Ganhuangenin
Viscidulin III
CAS Number
92519-91-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00429
Data Source Data ID Price
BioBioPha
BBP00429 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.088991  H Acceptors
H Donor LogD (pH = 5.5) 2.0768106 
LogD (pH = 7.4) 1.5867802  Log P 2.0877812 
Molar Refractivity 87.8212 cm3 Polarizability 32.860348 Å3
Polar Surface Area 125.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow powder expand Show data source
Purity
98.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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