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Home Other Building Blocks 3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one

3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one

CAS No.:
775351-88-7
Catalog Number:
AG00G3QY
Molecular Formula:
C25H26O4
Molecular Weight:
390.4715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$265
- +
10mg
99%
1 week
United States
$404
- +
Product Description
Catalog Number:
AG00G3QY
Chemical Name:
3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one
CAS Number:
775351-88-7
Molecular Formula:
C25H26O4
Molecular Weight:
390.4715
MDL Number:
MFCD21333547
IUPAC Name:
3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one
InChI:
InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7+
InChI Key:
ZBHUUXLHDOUMKM-REZTVBANSA-N
SMILES:
C/C(=C\Cc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O)/CCC=C(C)C
Properties
Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
390.183g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
390.479g/mol
Monoisotopic Mass:
390.183g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Literature
Title Journal
Phenolic compounds isolated from Psoralea corylifolia inhibit IL-6-induced STAT3 activation. Planta medica 20120601
Phytoestrogens from Psoralea corylifolia reveal estrogen receptor-subtype selectivity. Phytomedicine : international journal of phytotherapy and phytopharmacology 20100201
Properties