Compound Selection

Formula: C21H20O13

MW: 480.38

CAS: 652-78-8

TNP NUMBER: TNP00280

MDL NUMBER: MFCD00017429

IUPAC: 8-[((2S,5S,3R,4R,6R)-3,4,5,6-tetrahydroxy(2H-3,4,5,6-tetrahydropyran-2-yl))met hoxy]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

Smiles: c1(cc(c(c2c1c(c(c(o2)c1ccc(c(c1)O)O)O)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O

THERAPEUTIC CATEGORY: antioxidant, anti-inflammatory

REFERENCE: Ajaikumar B. Kunnumakkara1, Asha S. Nair1, Kwang Seok Ahn1, Manoj K. Pandey1, Zhengfang Yi2, Mingyao Liu2, and Bharat B. Aggarwal Blood, 15 June 2007, Vol. 109, No. 12, pp. 5112-5121.

SOURCE: Gossypin is an antioxidant, anti-inflammatory flavone extracted from Hibiscus vitifolius, also known as tropical rose mallow, a perennial shrub.

ACCEPTORS: 13

DONORS: 9

ROTATION BONDS: 8

N+O: 13

Chiral Centers: 5

LogP: -3.81

LogS: -2.13

LIPINSKI: 2

Synonyms: GOSSYPIN HPLC GRADE

CAS:

MF:

MW:0

EINECS:

Product Categories: GOSSYPIN HPLC GRADE GOSSYPIN HPLC GRADE

Usage And Synthesis: GOSSYPIN HPLC GRADE

Chemical Compounds - BioActive Compounds

Structure Search Shop Online Download Databases Request a CD
Structure Search eChemStore Download Request CD

Site Search

Compound Search

share

FacebookTwitterLinkedin

Contact Us

Toll Free 800-574-7391
Phone: 302-292-8500
Fax: 302-292-8520

Chem-TCM is the digital database of molecules from plants used in the traditional Chinese medicine
MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management