Monokserutin : Osobine, Reference, Literatura, Spoljašnje veze Wikipedia, slobodna enciklopedija

Monokserutin

Klinički podaci

AHFS/Drugs.com

Monografija

Identifikatori

CAS broj

23869-24-1

C05CA02

PubChem^[1]^[2]

9852585

UNII

EKF7043SBU^Y

KEGG^[3]

D07179^Y

Hemijski podaci

Formula

C₂₉H₃₄O₁₇

Mol. masa

654,570

SMILES

eMolekuli & PubHem

InChI
InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3 Key: MBHXKZDTQCSVPM-UHFFFAOYSA-N^Y

Sinonimi

Rutilemone
Varemoid
Paroven
Relvene
Monoxerutinum
Monoxerutina
Monoxerutine

Farmakoinformacioni podaci

Trudnoća

Pravni status

Monokserutin je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 654,570 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	17
Broj donora vodonika	10
Broj rotacionih veza	9
Particioni koeficijent^[4] (ALogP)	-1,5
Rastvorljivost^[5] (logS, log(mol/L))	-1,8
Polarna površina^[6] (PSA, Å²)	274,7

↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.”. Drug Discov Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519. edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1.
↑ Joanne Wixon, Douglas Kell (2000). „Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”. Yeast 17 (1): 48–55. DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A 102: 3762-3772. DOI:10.1021/jp980230o.
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488-1493. DOI:10.1021/ci000392t. PMID 11749573.
↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714-3717. DOI:10.1021/jm000942e. PMID 11020286.

Hardman JG, Limbird LE, Gilman AG. (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10 izd.). New York: McGraw-Hill. DOI:10.1036/0071422803. ISBN 0-07-135469-7.
Thomas L. Lemke, David A. Williams, ur. (2007). Foye's Principles of Medicinal Chemistry (6 izd.). Baltimore: Lippincott Willams & Wilkins. ISBN 0-7817-6879-9.