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7-epi-Isogarcinol

CAT: 0013-GTR19220239-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220239-01Size:5 mg
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Description
7-epi-Isogarcinol is a polycyclic polyprenylated acylphloroglucinol (PPAP) with moderate antiproliferative activity. It functions by inhibiting the STAT3 signaling pathway, leading to the induction of apoptosis and suppression of cell migration in vitro, making it a useful tool for oncology and signal transduction research.
CAS Number
1141378-40-6
Field of Research
Cell Biology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C1[C@@]23C (=C (C (=O) C4=CC (O) =C (O) C=C4) C (=O) [C@]1 (CC=C (C) C) C (C) (C) [C@@H] (CC=C (C) C) C2) OC (C) (C) [C@@H] (CC=C (C) C) C3
Molecular Formula
C38H50O6
Molecular Weight
602.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Epi-Isogarcinol

7-Epi-Isogarcinol has been reported in Moronobea coccinea, Garcinia portoricensis, and other organisms with data available.

CAS Number1141378-40-6
PubChem CID25242772
IUPAC Name(1S,3S,9R,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
Molecular FormulaC38H50O6
Molecular Weight602.8
XLogP8.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1310
SMILES
CC(=CC[C@H]1C[C@]23C[C@@H](C(OC2=C(C(=O)[C@@](C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)(C)C)CC=C(C)C)C
InChI
InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27-,37-,38-/m0/s1
InChIKey
KXTNVBQRLRYVCO-PFACJMQPSA-N
Chemical Structure
2D Structure
2D structure of 7-Epi-Isogarcinol
CAS: 1141378-40-6
CID: 25242772
Formula: C38H50O6
MW: 602.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.8
XLogP38.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass602.36073931
Monoisotopic Mass602.36073931
Topological Polar Surface Area101 Ų
Heavy Atom Count44
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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