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Polyphyllin I

CAT: 0931-T3895-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T3895-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50773-41-6
Target
Akt, Apoptosis, mTOR, Autophagy, JNK, PDK
Related Pathways
PI3K/Akt/mTOR signaling, Autophagy, Cytoskeletal Signaling, MAPK, Apoptosis
Purity
0.995
Bioactivity
Polyphyllin D induces apoptosis via the mitochondrial apoptotic pathway as evidenced by decreased Bcl-2 expression levels, disruption of MMP and increased Bax, cytochrome C, and cleaved-caspase-3 levels. Polyphyllin D has an anti-angiogenic effect. Polyphyllin D has toxicity in human RBCs as well as its underlying mechanism for the hemolysis and eryptosis/erythroptosis. Polyphyllin D has strong anticancer activity, can overcome drug resistance in R-HepG2 cells and elicit programmed cell death via mitochondrial dysfunction.
Smiles
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)O[C@]1([H])O[C@H](CO)[C@@H](O[C@]2([H])O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Molecular Formula
C44H70O16
Molecular Weight
855.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Polyphyllin I

Polyphyllin I has been reported in Paris polyphylla var. chinensis, Polygonatum kingianum, and other organisms with data available.

CAS Number50773-41-6
PubChem CID11018329
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC44H70O16
Molecular Weight855.0
XLogP1.5
Topological Polar Surface Area236
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count60
Formal Charge0
Complexity1570
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
InChI
InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
InChIKey
LRRDDWMXYOSKIC-IPKCVOQPSA-N
Chemical Structure
2D Structure
2D structure of Polyphyllin I
CAS: 50773-41-6
CID: 11018329
Formula: C44H70O16
MW: 855.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.0
XLogP31.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass854.46638614
Monoisotopic Mass854.46638614
Topological Polar Surface Area236 Ų
Heavy Atom Count60
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
294500-01Polyphyllin A
TP049263Polyphyllin Ⅵ
TP049264Polyphyllin Ⅶ
FP73840-01Polyphyllin II
OP59478Polyphyllin C
HY-W019830-01Polyphyllin F
HY-N0047-01Polyphyllin I
AB1965Polyphyllin VII
AB0596Polyphyllin VI
MBS579647Polyphyllin B

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