Bilobalid : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Bilobalid

Bilobalid
Klinički podaci


Drugs.com	Monografija
Identifikatori
CAS broj	33570-04-6^Y
ATC kod	None
PubChem	CID 73581
IUPHAR/BPS	2366
ChemSpider	21106418^Y
ChEMBL	CHEMBL133266^Y
Hemijski podaci
Formula	C₁₅H₁₈O₈
Molarna masa	326,299
SMILES CC(C)(C)[C@@]1(O)C[C@@H]2OC(=O)C[C@]23C(=O)O[C@@H]4OC(=O)[C@H](O)C134
InChI InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13+,14-,15?/m0/s1^Y Key:MOLPUWBMSBJXER-KPWRVLDFSA-N^Y

Bilobalid je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 326,299 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	8
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	-0,6
Rastvorljivost^[2] (logS, log(mol/L))	-1,2
Polarna površina^[3] (PSA, Å²)	119,4

^ Ghose, A.K.; Viswanadhan V.N. & 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. PMID 11749573. doi:10.1021/ci000392t.
^ 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. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.