Products for Research Use Only
RegisterLogin

Poncirin

CAT: 0127-BUP02052-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP02052-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
14941-08-3
Synonyms
Isosakuranetin-7-neohesperidoside
Purity
=98%
Smiles
COc1ccc(cc1)C1CC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)cc2O1

Chemical Information

Poncirin

(2S)-poncirin is a flavanone glycoside that is 4'-methoxy-5,7-dihydroxyflavanone attached to a neohesperidose (alpha-L-rhamnopyranosyl-(12)-beta-D-glucopyranose) residue via a glycosidic linkage. It has been isolated from the fruits of Poncirus trifoliata and exhibits inhibitory activity against liopolysaccharide (LPS)-induced prostaglandin E2 and interleukin-6 (IL-6) production. It has a role as a plant metabolite. It is a member of 4'-methoxyflavanones, a neohesperidoside, a monomethoxyflavanone, a disaccharide derivative and a flavanone glycoside. It is functionally related to a 4'-methoxy-5,7-dihydroxyflavanone.

CAS Number14941-08-3
PubChem CID442456
IUPAC Name(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC28H34O14
Molecular Weight594.6
XLogP-0.2
Topological Polar Surface Area214
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity900
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
InChI
InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChIKey
NLAWPKPYBMEWIR-SKYQDXIQSA-N
Chemical Structure
2D Structure
2D structure of Poncirin
CAS: 14941-08-3
CID: 442456
Formula: C28H34O14
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP3-0.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass594.19485575
Monoisotopic Mass594.19485575
Topological Polar Surface Area214 Ų
Heavy Atom Count42
Formal Charge0
Complexity900
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP17560-01Ponicidin

Alternative Products

CatalogName
BA3072-5Poncirin
HY-N2258RPoncirin (Standard)
GTR19269116Poncirin 6''-O-beta-D-glucopyranoside

Popular Products