Home > Compound List > Compound details
1334309-44-2 molecular structure
click picture or here to close

2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one

ChemBase ID: 305917
Molecular Formular: C30H34O6
Molecular Mass: 490.58736
Monoisotopic Mass: 490.23553881
SMILES and InChIs

SMILES:
c1(cc(c2c(c1)oc(c(c2=O)CC=C(C)C)c1ccc(c(c1O)C/C=C(/CCC=C(C)C)\C)O)O)O
Canonical SMILES:
C/C(=C\Cc1c(O)ccc(c1O)c1oc2cc(O)cc(c2c(=O)c1CC=C(C)C)O)/CCC=C(C)C
InChI:
InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-12-21-24(32)14-13-22(28(21)34)30-23(11-9-18(3)4)29(35)27-25(33)15-20(31)16-26(27)36-30/h7,9-10,13-16,31-34H,6,8,11-12H2,1-5H3/b19-10+
InChIKey:
GLWAWFMOTOFEGT-VXLYETTFSA-N

Cite this record

CBID:305917 http://www.chembase.cn/molecule-305917.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
IUPAC Traditional name
2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl}-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)chromen-4-one
Synonyms
3'-Geranyl-3-prenyl-2',4',5,7-tetrahydroxyflavone
CAS Number
1334309-44-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02568
Data Source Data ID Price
BioBioPha
BBP02568 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.5336013  H Acceptors
H Donor LogD (pH = 5.5) 7.363747 
LogD (pH = 7.4) 6.347112  Log P 7.402101 
Molar Refractivity 146.4989 cm3 Polarizability 54.58206 Å3
Polar Surface Area 107.22 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Yellow powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle