Products for Research Use Only
RegisterLogin

Poncitrin

CAT: 0013-GTR19229168-05Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19229168-05Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Poncitrin (CAS 22980-57-0) is a small molecule compound used in life science research. It serves as a tool compound in biochemical studies, with applications in both in vitro enzymatic assays and in vivo model research related to cellular signaling pathways.
CAS Number
22980-57-0
Smiles
COc1c2C=CC (C) (C) Oc2c (c2oc (=O) ccc12) C (C) (C) C=C
Molecular Formula
C20H22O4
Molecular Weight
326.392
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dentatin

Dentatin is a member of coumarins. It has a role as a metabolite.

CAS Number22980-57-0
PubChem CID342801
IUPAC Name5-methoxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
Molecular FormulaC20H22O4
Molecular Weight326.4
XLogP4.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity586
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)C
InChI
InChI=1S/C20H22O4/c1-7-19(2,3)15-17-12(8-9-14(21)23-17)16(22-6)13-10-11-20(4,5)24-18(13)15/h7-11H,1H2,2-6H3
InChIKey
QBFYQVZGIDUNIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dentatin
CAS: 22980-57-0
CID: 342801
Formula: C20H22O4
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass326.15180918
Monoisotopic Mass326.15180918
Topological Polar Surface Area44.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19170097-01Poncirin
GTR19159603-01Poncirin
GTR19269116Poncirin 6''-O-beta-D-glucopyranoside

Alternative Products

CatalogName
MBS5790751Poncitrin

Popular Products