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62949-79-5 molecular structure
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2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one

ChemBase ID: 305478
Molecular Formular: C25H26O6
Molecular Mass: 422.47034
Monoisotopic Mass: 422.17293855
SMILES and InChIs

SMILES:
c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)CC=C(C)C)c1ccc(cc1O)O)O)O
Canonical SMILES:
CC(=CCc1c(oc2c(c1=O)c(O)cc(c2CC=C(C)C)O)c1ccc(cc1O)O)C
InChI:
InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
InChIKey:
UWQYBLOHTQWSQD-UHFFFAOYSA-N

Cite this record

CBID:305478 http://www.chembase.cn/molecule-305478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one
IUPAC Traditional name
mulberrin
Synonyms
Kuwanon C
Mulberrin
CAS Number
62949-79-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01988
Data Source Data ID Price
BioBioPha
BBP01988 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.3752265  H Acceptors
H Donor LogD (pH = 5.5) 5.6882415 
LogD (pH = 7.4) 4.573749  Log P 5.742387 
Molar Refractivity 122.6963 cm3 Polarizability 45.6166 Å3
Polar Surface Area 107.22 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

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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