Compound Selection

Formula: C13H15NO2

MW: 217.27

CAS: 5610-40-2

TNP NUMBER: TNP00256

MDL NUMBER: MFCD03225476

IUPAC: (1S,8S,14R)-2-oxa-9-azatetracyclo[6.6.1.0<1,5>.0<9,14>]pentadeca-4,6-dien-3-on e

Smiles: C=12[C@@]3([C@@H]4(N(CCCC4)[C@@H](C3)(C=C2)))OC(=O)C1

From leaves and roots of Securinega suffruticosa Rehder, Euphorbiaceae found in the Ussuri region. Merck, 12, 8565

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 0

N+O: 3

Chiral Centers: 3

LogP: 2.28

LogS: -3.66

LIPINSKI: 4

Synonyms: SECURAN-11-ONE;SECURININE;(-)-securinin;securinan-11-one;securinin;Securinan-11-on;SECURININE(RG);(2B,7S,9S)-Securinan-11-one

CAS:5610-40-2

MF:C13H15NO2

MW:217.26

EINECS:

Product Categories:Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals SECURININE

Chemical Properties: mp 140-1420C T Risk Statements 23/24/25 Safety Statements 36/37/39-45 WGK Germany 3 RTECS VS4115000 SECURININE

Usage And Synthesis:

Chemical Properties: Yellow Solid UsageExtracted from leaves and roots of Securinega suffruticosa Rehder. SECURININE

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