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775351-91-2 molecular structure
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2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

ChemBase ID: 306248
Molecular Formular: C20H18O5
Molecular Mass: 338.35392
Monoisotopic Mass: 338.11542368
SMILES and InChIs

SMILES:
c1(ccc2c(c1CC=C(C)C)oc(cc2=O)c1cc(c(cc1)O)O)O
Canonical SMILES:
CC(=CCc1c(O)ccc2c1oc(cc2=O)c1ccc(c(c1)O)O)C
InChI:
InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-17(23)10-19(25-20(13)14)12-4-7-16(22)18(24)9-12/h3-4,6-10,21-22,24H,5H2,1-2H3
InChIKey:
MXLIDQIPMAHDLB-UHFFFAOYSA-N

Cite this record

CBID:306248 http://www.chembase.cn/molecule-306248.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
IUPAC Traditional name
2-(3,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)chromen-4-one
Synonyms
Corylifol C
CAS Number
775351-91-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP03037
Data Source Data ID Price
BioBioPha
BBP03037 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 3.7852561  Molar Refractivity 97.1567 cm3
Polarizability 36.044434 Å3 Polar Surface Area 86.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 6.3143215  H Acceptors
H Donor LogD (pH = 5.5) 3.7237346 
LogD (pH = 7.4) 2.6820786 

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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