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HPCR

CAT: 0931-T204176-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T204176-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176897-13-5
Target
Apoptosis
Related Pathways
Apoptosis
Bioactivity
HPCR exhibits antiproliferative activity against various cancer cells and is involved in apoptosis (apoptosis) .
Smiles
OC1=CC=C(C=C1)C2C=3C=C(C(O)=CC3O)C(C4=CC=C(O)C=C4)C=5C=C(C(O)=CC5O)C(C6=CC=C(O)C=C6)C7=CC(=C(O)C=C7O)C(C8=CC=C(O)C=C8)C9=CC2=C(O)C=C9O
Molecular Formula
C52H40O12
Molecular Weight
856.867
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,8,14,20-Tetrakis(4-hydroxyphenyl)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CAS Number176897-13-5
PubChem CID3312679
IUPAC Name2,8,14,20-tetrakis(4-hydroxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
Molecular FormulaC52H40O12
Molecular Weight856.9
XLogP9.2
Topological Polar Surface Area243
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count64
Formal Charge0
Complexity1200
SMILES
C1=CC(=CC=C1C2C3=CC(=C(C=C3O)O)C(C4=CC(=C(C=C4O)O)C(C5=C(C=C(C(=C5)C(C6=C(C=C(C2=C6)O)O)C7=CC=C(C=C7)O)O)O)C8=CC=C(C=C8)O)C9=CC=C(C=C9)O)O
InChI
InChI=1S/C52H40O12/c53-29-9-1-25(2-10-29)49-33-17-35(43(59)21-41(33)57)50(26-3-11-30(54)12-4-26)37-19-39(47(63)23-45(37)61)52(28-7-15-32(56)16-8-28)40-20-38(46(62)24-48(40)64)51(27-5-13-31(55)14-6-27)36-18-34(49)42(58)22-44(36)60/h1-24,49-64H
InChIKey
WQMHDKXCEBMUSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8,14,20-Tetrakis(4-hydroxyphenyl)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CAS: 176897-13-5
CID: 3312679
Formula: C52H40O12
MW: 856.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight856.9
XLogP39.2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass856.25197671
Monoisotopic Mass856.25197671
Topological Polar Surface Area243 Ų
Heavy Atom Count64
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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