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C086

CAT: 0931-T200395-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T200395-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1160107-44-7
Target
HSP
Related Pathways
Metabolism, Cytoskeletal Signaling
Bioactivity
C086 is a novel and potent Hsp90 inhibitor that suppresses cell cycle progression, induces apoptosis, and exhibits anti-metastatic properties by modulating various mechanisms in different cell types.
Smiles
C(C(C(/C=C/C1=CC(OC)=C(O)C=C1)=O)C(/C=C/C2=CC(OC)=C(O)C=C2)=O)C3=CC(OC)=C(O)C=C3
Molecular Formula
C29H28O8
Molecular Weight
504.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (1E,6E)-
CAS Number1160107-44-7
PubChem CID44195236
IUPAC Name(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]hepta-1,6-diene-3,5-dione
Molecular FormulaC29H28O8
Molecular Weight504.5
XLogP4.8
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity745
SMILES
COC1=C(C=CC(=C1)CC(C(=O)/C=C/C2=CC(=C(C=C2)O)OC)C(=O)/C=C/C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C29H28O8/c1-35-27-15-18(6-11-24(27)32)4-9-22(30)21(14-20-8-13-26(34)29(17-20)37-3)23(31)10-5-19-7-12-25(33)28(16-19)36-2/h4-13,15-17,21,32-34H,14H2,1-3H3/b9-4+,10-5+
InChIKey
YYKIPSPMJXEHDD-LUZURFALSA-N
Chemical Structure
2D Structure
2D structure of 1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (1E,6E)-
CAS: 1160107-44-7
CID: 44195236
Formula: C29H28O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass504.17841785
Monoisotopic Mass504.17841785
Topological Polar Surface Area123 Ų
Heavy Atom Count37
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-164465C086

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