بيتاينون أ

بيتاينون أ
بيتاينون أ
بيتاينون أ
الاسم النظامي (IUPAC)

(3Z)-4,6,9-trihydroxy-3-(hydroxymethylidene)-1,6,8,9-tetramethyl-10-(1-methylpropyl)octahydro-1,4-ethanonaphthalen-2(1H)-one
المعرفات
رقم CAS 85269-22-3
بوب كيم (PubChem) [2][3] 5478031[2][3]
مواصفات الإدخال النصي المبسط للجزيئات
  • OC12C(O)(C)C(C(C)CC)C(C)(C(=O)\C2=C\O)C3C1CC(O)(C)CC3C

  • 1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+
    Key: FHJXKTOXQHRDTL-GXDHUFHOSA-N
الخواص
صيغة كيميائية C21H34O5
كتلة مولية 366.49 غ.مول−1
في حال عدم ورود غير ذلك فإن البيانات الواردة أعلاه معطاة بالحالة القياسية (عند 25 °س و 100 كيلوباسكال)
تعديل مصدري - تعديل  طالع توثيق القالب

بيتاينون أ (بالإنجليزية:Betaenone A) ، مثله مثل باقي مركبات بيتاينون (B وC) ، هو مستقلب ثانوي معزول عن فطر بلوسبورا بيتاي ، أحد مسببات الأمراض النباتية.[4] من بين السبعة السموم النباتية المعزولة في بقع الأوراق الفطرية من شمندر السكر (بيتا فولغاريس) ، أظهرت تثبيطًا للنمو بنسبة 73٪.[5]

الهياكل الجزيئية للبيتاينون A و B و C.
الهياكل الجزيئية للبيتاينون A و B و C.

الميزات

ميزة قيمة
عدد متقبلات الهيدروجين 5
عدد المتبرعين بالهيدروجين 4
عدد روابط الدوران 2
معامل التقسيم[6] (ALogP) 1,7
الذوبان[7] (logS, log(mol/L)) -3,4
السطح القطبي[8] (PSA, Å2) 98,0

المراجع

  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
  2. ^ 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
  3. ^ 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.
  4. ^ Ichihara A.؛ Oikawa، Hideaki؛ Hayashi، Kazuko؛ Sakamura، Sadao؛ Furusaki، Akio؛ Matsumoto، Takeshi (1983). "Structures of Betaenones A and B, Novel Phytotoxins from Phoma betae Fr". J. Am. Chem. Soc. ج. 105 ع. 9: 2907–2908. DOI:10.1021/ja00347a070.
  5. ^ Haraguchi, T.؛ Oguro، Mieko؛ Nagano، Hiroshi؛ Ichihara، Akitami؛ Sakamura، Sadao (1983). "Specific inhibitors of eukaryotic DNA synthesis and DNA polymerase α, 3-deoxyaphidicolin and aphidicolin-17-monoacetate". Nucleic Acids Res. ج. 11 ع. 4: 1197–2000. DOI:10.1093/nar/11.4.1197. PMC:325786. PMID:6402759.
  6. ^ قالب:Cite doi/10.1021/jp980230o
  7. ^ PMID 11749573 (ببمد: 11749573)
    Citation will be completed automatically in a few minutes. Jump the queue or expand by hand
  8. ^ PMID 11020286 (ببمد: 11020286)
    Citation will be completed automatically in a few minutes. Jump the queue or expand by hand


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