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ScientificNameLabel
safranal
PHCD compound ID : 321
Chemical Names :
safranal , 2,6,6-trimethyl-1,3-cyclohexadien-1-carboxaldehyde , 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl aldehyde
Molecular Formula : C10H14O1
Molecular Weight : 150.104465
More Details :
Names & Synonyms: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde , 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde
Smiles: O=CC1=C(C)C=CCC1(C)C
InChi : InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChi Key : InChIKey=SGAWOGXMMPSZPB-UHFFFAOYSA-N
PubChem ID : 61041
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.088507
Hydrogen bond donor count : 0 Electric dipole moment : 2.968
XLogP : 2.45 VDW volume : 170.040697
Molecular weight : 150.104465 HOMO-LUMO gap : 8.977000
Herb list :
 
- Bunium persicum (Boiss.) B. Fedtsch - زیره کرمانی، زیره ایرانی
Absinthium, Wormwood - Artemisia absinthium - افسنطین
Caucasian whortlebery - Vaccinium arctostaphylos - قره قاط، سیله گیله
Cumin - Cuminum cyminum - زیره سبز
Nettle, Stinging nettle - Urtica dioica - گزنه دو پایه، گزنه
Red pepper - Capsicum annuum - فلفل قرمز
Safflower, False saffron - Carthamus tinctorius - گلرنگ، کاجیره، کافشه
Saffron, Crocus - Crocus sativus - زعفران
Small-leaved linden, Tillet tree - Tilia cordata - زیرفون، نمدار برگ‌ریز
St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز
Tamarind, Indian date - Tamarindus indica - تمرهندی
Turnip - Brassica rapa - شلغم
Yellow sweet clover, Yellow melilot - Melilotus officinalis - یونجه زرد، اکلیل الملک
Refrences & Litretures:
  
19.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'87'      DOI:''      Title:'Chemical Composition of the Essential Oil of Artemisia absinthium L. from Cuba'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
378.      Journal:'J. Agric. Food Chem'      Year:'1997'      Volume:'45'      Page:'459'      DOI:'10.1021/jf960105e'      Title:'Isolation and Identification of the Aroma Components from Saffron (Crocus sativus)'
405.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'2004'      Volume:'19'      Page:'311'      DOI:'10.1002/ffj.1302'      Title:'Chemical composition of the essential oil of Cuminum cyminum L. from China'
406.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'10410'      DOI:'10.1021/jf102248j'      Title:'Essential Oils, Phenolics, and Antioxidant Activities of Different Parts of Cumin (Cuminum cyminum L.)'
498.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'313'      DOI:'10.1080/0972060X.2010.10643826'      Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
526.      Journal:'Comptes Rendus Biologies'      Year:'2002'      Volume:'325'      Page:'781'      DOI:''      Title:'Composition of the essential oils of Hypericum perforatum L. from southeastern France'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
555.      Journal:'Int. J. Adv. Biol. Biom. Res'      Year:'2015'      Volume:'3'      Page:'270'      DOI:''      Title:'The Chemical Composition and Antimicrobial Activity of Essential Oils of Vaccinium Arctostaphylos L'
558.      Journal:'Pharmaceutical Biology'      Year:'2002'      Volume:'40'      Page:'448'      DOI:''      Title:'Steam Volatiles of Vaccinium arctostaphylos'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
653.      Journal:'Afr. J. Biotechnol'      Year:'2012'      Volume:'11'      Page:'12921'      DOI:'10.5897/AJB12.1570'      Title:'The essential oil composition of Carthamus tinctorius L. flowers growing in Iran'
810.      Journal:'Journal of Essential Oil Research'      Year:'2018'      Volume:'30'      Page:'258'      DOI:'10.1080/10412905.2018.1441077'      Title:'Variability in essential oil content and composition of Bunium persicum Boiss. populations growing wild in northeast of Iran'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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