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Torilin

CAT: 0013-GTR19181101Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181101Size:5 mg
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Description
Torilin is a natural small molecule with diverse research applications. It acts as a moderate 5α-reductase inhibitor and exhibits anti-inflammatory, anti-angiogenic, and antimicrobial properties in vitro. Studies also demonstrate its in vivo potential to attenuate arthritis and modulate immune responses, alongside activity against multidrug-resistant cancer cells.
CAS Number
13018-10-5
Field of Research
Cell Biology, Metabolism Research, Molecular Biology, Protein Biochemistry, Signal Transduction
Smiles
[C@@] (OC (C) =O) (C) (C) [C@@H]1[C@H] (OC (/C (=C\C) /C) =O) C[C@H] (C) [C@@]2 (C (C1) =C (C) C (=O) C2) [H]
Molecular Formula
C22H32O5
Molecular Weight
376.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Torilin

torilin has been reported in Cnidium monnieri and Torilis japonica with data available.

CAS Number13018-10-5
PubChem CID6450226
IUPAC Name[(5S,6R,8S,8aR)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC22H32O5
Molecular Weight376.5
XLogP3.4
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity697
SMILES
C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@H]2CC(=O)C(=C2C[C@@H]1C(C)(C)OC(=O)C)C)C
InChI
InChI=1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13-,16+,18-,20+/m0/s1
InChIKey
IQWVFAXBJQKUDH-TXCQZRSTSA-N
Chemical Structure
2D Structure
2D structure of Torilin
CAS: 13018-10-5
CID: 6450226
Formula: C22H32O5
MW: 376.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass376.22497412
Monoisotopic Mass376.22497412
Topological Polar Surface Area69.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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