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147059-46-9 | 8bH-Cyclopenta[b]benzofuran-1,8b-diol, 1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, (1R,3S,3aR,8bS)-
CAS No: 147059-46-9 Catalog No: AG001EKZ MDL No:MFCD14635395
Product Description
Catalog Number:
AG001EKZ
Chemical Name:
8bH-Cyclopenta[b]benzofuran-1,8b-diol, 1,2,3,3a-tetrahydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, (1R,3S,3aR,8bS)-
CAS Number:
147059-46-9
Molecular Formula:
C26H26O6
Molecular Weight:
434.4810
MDL Number:
MFCD14635395
IUPAC Name:
(1R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
InChI:
InChI=1S/C26H26O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,23,27-28H,15H2,1-3H3/t20-,23+,25+,26-/m0/s1
InChI Key:
RRVZOJQBRVGMMK-HCBGRYSISA-N
SMILES:
COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H](C[C@H]1c1ccccc1)O)c(OC)cc(c3)OC
NSC Number:
695796
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
434.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.488g/mol
Monoisotopic Mass:
434.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthetic analogue of rocaglaol displays a potent and selective cytotoxicity in cancer cells: involvement of apoptosis inducing factor and caspase-12. | Journal of medicinal chemistry 20090827 |
| Potential of cyclopenta[b]benzofurans from Aglaia species in cancer chemotherapy. | Anti-cancer agents in medicinal chemistry 20060701 |
| Rocaglaol induces apoptosis and cell cycle arrest in LNCaP cells. | Anticancer research 20060101 |
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