Products for Research Use Only

Kirenol

CAT: 0013-GTR19169296-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169296-02Size:5 mg
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Description
Kirenol is a bioactive diterpenoid with demonstrated antioxidant, anti-inflammatory, and antibacterial properties. Research applications include in vitro studies on its antitumor effects against leukemia cells, its role in promoting osteoblast differentiation via BMP/Wnt pathways, and its immunomodulatory action on lymphocyte apoptosis and cytokine secretion.
CAS Number
52659-56-0
Product Name Alternative
Wnt/β-catenin, Wnt/beta-catenin, Wnt/betacatenin, Wnt/b-catenin, Wnt, Siegesbeckia, βcatenin, Kirel, Kirenol, inhibit, orientalis, Inhibitor, betacatenin, beta-catenin, anti-inflammatory, analgesic, bcatenin
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Purity
>98%
Bioactivity
Adipogenesis inhibitor
Form
Powder
Solubility
Chloroform, Dichloromethane, Ethyl Acetate, Acetone, etc.:Soluble; DMSO:62 mg/mL (183.17 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.5 mg/mL (7.39 mM)
Smiles
C[C@@]1 (CO) C[C@@H] (O) C[C@@]2 (C) [C@@H]3CC[C@@] (C) (C=C3CC[C@H]12) [C@@H] (O) CO
Molecular Formula
C20H34O4
Molecular Weight
338.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kirenol

Kirenol is a diterpenoid.

CAS Number52659-56-0
PubChem CID15736732
IUPAC Name(1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Molecular FormulaC20H34O4
Molecular Weight338.5
XLogP2
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity518
SMILES
C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(C[C@@H](C[C@@]3(C)CO)O)C)[C@H](CO)O
InChI
InChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey
NRYNTARIOIRWAB-JPDRSCFKSA-N
Chemical Structure
2D Structure
2D structure of Kirenol
CAS: 52659-56-0
CID: 15736732
Formula: C20H34O4
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass338.24570956
Monoisotopic Mass338.24570956
Topological Polar Surface Area80.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity518
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