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1107620-67-6 molecular structure
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7,10-dihydroxy-12-methoxy-2,2-dimethyl-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one

ChemBase ID: 304960
Molecular Formular: C19H18O6
Molecular Mass: 342.34262
Monoisotopic Mass: 342.1103383
SMILES and InChIs

SMILES:
c12c(c(=O)c3c(o1)c(ccc3O)O)cc1c(c2OC)OC(CC1)(C)C
Canonical SMILES:
COc1c2OC(C)(C)CCc2cc2c1oc1c(O)ccc(c1c2=O)O
InChI:
InChI=1S/C19H18O6/c1-19(2)7-6-9-8-10-14(22)13-11(20)4-5-12(21)17(13)24-16(10)18(23-3)15(9)25-19/h4-5,8,20-21H,6-7H2,1-3H3
InChIKey:
AWSPLWUUTQJIOF-UHFFFAOYSA-N

Cite this record

CBID:304960 http://www.chembase.cn/molecule-304960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7,10-dihydroxy-12-methoxy-2,2-dimethyl-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one
IUPAC Traditional name
7,10-dihydroxy-12-methoxy-2,2-dimethyl-3,4-dihydro-1,11-dioxatetracen-6-one
Synonyms
NPD
Garcinexanthone A
CAS Number
1107620-67-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01317
Data Source Data ID Price
BioBioPha
BBP01317 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.296838  H Acceptors
H Donor LogD (pH = 5.5) 3.868088 
LogD (pH = 7.4) 3.8172386  Log P 3.8687758 
Molar Refractivity 90.6721 cm3 Polarizability 34.82756 Å3
Polar Surface Area 85.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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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