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Genkwadaphnin

CAT: 0931-T82326-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T82326-02Size:50 mg
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CAS Number
55073-32-0
Bioactivity
Genkwadaphnin, a daphnane diterpenoid, targets importin-β1, reducing the nuclear accumulation of CRPC drivers and suppressing downstream oncogenic signaling. Demonstrating potent anti-tumor effects, it inhibits castration-resistant prostate cancer (CRPC) in vivo in mice [1].
Smiles
C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)([C@@H]1OC(=O)C5=CC=CC=C5)O[C@](O2)(O4)C6=CC=CC=C6)[H])([C@]7([C@](CO)(O7)[C@@H](O)[C@@]8(O)[C@]3(C=C(C)C8=O)[H])[H])[H]
Molecular Formula
C34H34O10
Molecular Weight
602.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Genkwadaphnin

Genkwadaphnin has been reported in Daphne genkwa, Daphne acutiloba, and other organisms with data available.

CAS Number55073-32-0
PubChem CID46886776
IUPAC Name[(1S,2S,4R,5S,6S,10R,11R,12R,13R,14R,18R)-5,6-dihydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-11-phenoxy-14-prop-1-en-2-yl-3,15,17-trioxapentacyclo[9.7.0.02,4.06,10.014,18]octadec-8-en-13-yl] benzoate
Molecular FormulaC34H36O10
Molecular Weight604.6
XLogP3.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity1240
SMILES
C[C@@H]1[C@H]([C@]2([C@@H]([C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]3O5)CO)O)O)C)OC6=CC=CC=C6)OCO2)C(=C)C)OC(=O)C7=CC=CC=C7
InChI
InChI=1S/C34H36O10/c1-18(2)33-26(42-29(37)21-11-7-5-8-12-21)20(4)34(43-22-13-9-6-10-14-22)23-15-19(3)25(36)32(23,39)30(38)31(16-35)27(44-31)24(34)28(33)40-17-41-33/h5-15,20,23-24,26-28,30,35,38-39H,1,16-17H2,2-4H3/t20-,23-,24+,26-,27+,28-,30-,31+,32-,33+,34+/m1/s1
InChIKey
RWZIZQFWAANZRA-KUTWFHBRSA-N
Chemical Structure
2D Structure
2D structure of Genkwadaphnin
CAS: 55073-32-0
CID: 46886776
Formula: C34H36O10
MW: 604.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass604.23084734
Monoisotopic Mass604.23084734
Topological Polar Surface Area144 Ų
Heavy Atom Count44
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19217668-01Genkwadaphnin

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