Peruvozid
Klinički podaci
AHFS/Drugs.com
Monografija
Identifikatori
CAS broj
1182-87-2
ATC kod
C01 AX02
PubChem [1] [2]
14449
ChemSpider [3]
16498835
ChEMBL [4]
CHEMBL1075790 Y
Hemijski podaci
Formula
C 30 H 44 O 9
Mol. masa
548,665
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29-,30+/m0/s1 Key: PMTSPAGBAFCORP-LPUICVFYSA-N Y
Sinonimi
(3S,5R,10R,13R,14S,17R)- 3-[(2S,5R)- 3,5-dihydroxy- 4-methoxy- 6-methyloxan- 2-yl]oxy- 14-hydroxy- 13-methyl- 17-(5-oxo-2H-furan-3-yl)- 1,2,3,4,5,6,7,8,9,11,12,15,16,17- tetradecahydrocyclopenta[a]phenanthrene- 10-carbaldehyde
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
Peruvozid je organsko jedinjenje , koje sadrži 30 atoma ugljenika i ima molekulsku masu od 548,665 Da .
↑ 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 .
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining” . J Cheminform 2 (1): 3. DOI :10.1186/1758-2946-2-3 . PMID 20331846 . edit
↑ Gaulton A, Bellis LJ, Bento AP, Chambers J, Davies M, Hersey A, Light Y, McGlinchey S, Michalovich D, Al-Lazikani B, Overington JP. (2012). „ChEMBL: a large-scale bioactivity database for drug discovery”. Nucleic Acids Res 40 (Database issue): D1100-7. DOI :10.1093/nar/gkr777 . PMID 21948594 . edit
↑ 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 .