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61854-36-2 molecular structure
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5,7-dihydroxy-2-(4-hydroxyphenoxy)-4H-chromen-4-one

ChemBase ID: 305764
Molecular Formular: C15H10O6
Molecular Mass: 286.2363
Monoisotopic Mass: 286.04773804
SMILES and InChIs

SMILES:
c1(cc(c2c(c1)oc(cc2=O)Oc1ccc(cc1)O)O)O
Canonical SMILES:
Oc1ccc(cc1)Oc1cc(=O)c2c(o1)cc(cc2O)O
InChI:
InChI=1S/C15H10O6/c16-8-1-3-10(4-2-8)20-14-7-12(19)15-11(18)5-9(17)6-13(15)21-14/h1-7,16-18H
InChIKey:
UBSCDKPKWHYZNX-UHFFFAOYSA-N

Cite this record

CBID:305764 http://www.chembase.cn/molecule-305764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dihydroxy-2-(4-hydroxyphenoxy)-4H-chromen-4-one
IUPAC Traditional name
5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one
Synonyms
Demethoxycapillarisin
CAS Number
61854-36-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02358
Data Source Data ID Price
BioBioPha
BBP02358 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.5047913  H Acceptors
H Donor LogD (pH = 5.5) 3.3078759 
LogD (pH = 7.4) 2.353618  Log P 3.3486187 
Molar Refractivity 82.7692 cm3 Polarizability 27.7537 Å3
Polar Surface Area 96.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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