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Proscillaridin A

CAT: 0013-GTR19155746-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155746-05Size:5 mg
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Description
Proscillaridin A is a natural product.It is a potent poison of topoisomerase I/II activity with IC50 values of 30 nM and 100 nM, respectively.
CAS Number
466-06-8
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (188.45 mM; Need ultrasonic)
Smiles
O[C@@] ([C@@]1 (CC2) C) (CC[C@@H]1C (C=C3) =COC3=O) [C@@] (CCC4=C[C@@H] (O[C@@] (O[C@@H] (C) [C@H] (O) [C@H]5O) ([H]) [C@@H]5O) CC6) ([H]) [C@@]2 ([H]) [C@]46C
Molecular Formula
C30H42O8
Molecular Weight
530.7
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Proscillaridin

Proscillaridin is an organic molecular entity.

CAS Number466-06-8
PubChem CID5284613
IUPAC Name5-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular FormulaC30H42O8
Molecular Weight530.6
XLogP1.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1070
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
InChI
InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
InChIKey
MYEJFUXQJGHEQK-ALRJYLEOSA-N
Chemical Structure
2D Structure
2D structure of Proscillaridin
CAS: 466-06-8
CID: 5284613
Formula: C30H42O8
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass530.28796829
Monoisotopic Mass530.28796829
Topological Polar Surface Area126 Ų
Heavy Atom Count38
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3614043-01Proscillaridin A
561872Proscillaridin
A13852-10Proscillaridin A 10mg
A13852-5Proscillaridin A 5mg
A13852-25Proscillaridin A 25mg
HY-N2331RProscillaridin A (Standard)
A13852-100Proscillaridin A 100mg
A13852-50Proscillaridin A 50mg
BP300151Proscillaridin A - Bio-X TM
463125-01Proscillaridin A discontinued. See 294504

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