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ZEARALANONE

CAS No.:
5975-78-0
Catalog Number:
AG00EBQU
Molecular Formula:
C18H24O5
Molecular Weight:
320.3802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$111
- +
5mg
≥98%
1 week
United States
$219
- +
Product Description
Catalog Number:
AG00EBQU
Chemical Name:
ZEARALANONE
CAS Number:
5975-78-0
Molecular Formula:
C18H24O5
Molecular Weight:
320.3802
MDL Number:
MFCD00135821
IUPAC Name:
(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
InChI:
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
InChI Key:
APJDQUGPCJRQRJ-LBPRGKRZSA-N
SMILES:
C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O
UNII:
133DU2F2VS
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
320.162g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.385g/mol
Monoisotopic Mass:
320.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships. Journal of natural products 20110527
Discovery and development of heat shock protein 90 inhibitors. Bioorganic & medicinal chemistry 20090315
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Search for Hsp90 inhibitors with potential anticancer activity: isolation and SAR studies of radicicol and monocillin I from two plant-associated fungi of the Sonoran desert. Journal of natural products 20060201
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. Journal of medicinal chemistry 20050908
Pochonins A-F, new antiviral and antiparasitic resorcylic acid lactones from Pochonia chlamydosporia var. catenulata. Journal of natural products 20030601
Interaction of estrogenic chemicals and phytoestrogens with estrogen receptor beta. Endocrinology 19981001
Properties