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Geraniin

CAT: 0013-GTR19158720-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158720-01Size:200 mg
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Description
Geraniin has a protective effect against OVX-induced rat osteoporosis. Geraniin has cytotoxic activity towards cancer cells in vitro and in vivo. Geraniin exerts inhibitory effects on osteoclast differentiation in vitro and suppresses Ti particle-induced osteolysis in vivo, is a potential natural compound for the treatment of wear particle induced osteolysis in prostheses failure. Geraniin has anti-oxidant activity, induces Nrf2-mediated expression of antioxidant enzymes HO-1 and NQO1, presumably via PI3K/AKT and ERK1/2 signaling pathways, thereby protecting cells from H2O2-induced oxidative cell death. Geraniin presents radioprotective effects by regulating DNA damage on splenocytes, exerting immunostimulatory capacities and inhibiting apoptosis of radiosensitive immune cells and jejunal crypt cells.
CAS Number
60976-49-0
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL 104.97 mM
Smiles
C1C2C3C (C (C (O2) OC (=O) C4=CC (=C (C (=C4) O) O) O) OC (=O) C5=CC (=C (C6=C5C7C (=CC (=O) C (C7 (O) O) (O6) O) C (=O) O3) O) O) OC (=O) C8=CC (=C (C (=C8C9=C (C (=C (C=C9C (=O) O1) O) O) O) O) O) O
Molecular Formula
C41H28O27
Molecular Weight
952.64
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Geraniin

Geraniin is a tannin.

CAS Number60976-49-0
PubChem CID3001497
IUPAC Name[(1R,7R,8S,26R,28S,29R,38R)-1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl] 3,4,5-trihydroxybenzoate
Molecular FormulaC41H28O27
Molecular Weight952.6
XLogP-0.6
Topological Polar Surface Area450
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count27
Rotatable Bond Count3
Heavy Atom Count68
Formal Charge0
Complexity2080
SMILES
C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
InChI
InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
InChIKey
JQQBXPCJFAKSPG-SVYIMCMUSA-N
Chemical Structure
2D Structure
2D structure of Geraniin
CAS: 60976-49-0
CID: 3001497
Formula: C41H28O27
MW: 952.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight952.6
XLogP3-0.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count27
Rotatable Bond Count3
Exact Mass952.08179561
Monoisotopic Mass952.08179561
Topological Polar Surface Area450 Ų
Heavy Atom Count68
Formal Charge0
Complexity2080
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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