Details of Natural Product (NP)

General Information of Natural Product (ID: NP0301)
  Natural Product Name
3-Methylbutanal
  Synonyms
3-Methylbutanal; ISOVALERALDEHYDE; 590-86-3; 3-Methylbutyraldehyde; Isopentaldehyde; Isovaleral; Butanal, 3-methyl-; Isoamylaldehyde; Isovalerylaldehyde; Isopentanal; beta-Methylbutanal; Isovaleric aldehyde; Isoamyl aldehyde; 2-Methylbutanal-4; 3-Methyl-1-butanal; 1-Butanal, 3-methyl-; Butyraldehyde, 3-methyl-; iso-C4H9CHO; Iso-Valeraldehyde; 3-Methyl-Butanal; 3-Methylbutan-1-al; 3-Methyl butyraldehyde; 3-methyl-Butyraldehyde; NSC 404119; Butanal, methyl-; .beta.-Methylbutanal; UNII-69931RWI96; CHEMBL18360; CHEBI:16638; MFCD00007014; 69931RWI96; 3-Methylbutylaldehyde; beta-Methylbutyraldehyde; FEMA No. 2692; CCRIS 2945; HSDB 628; 3-Methylbutyraldehyde (natural); Aldehyde isovalerianique [French]; Aldehyde isovalerianique; EINECS 209-691-5; BRN 0773692; b-Methylbutanal; Methyl butanal; AI3-16106; isovaler aldehyde; 3-methyl butanal; Isovaleraldehyde, 97%; DSSTox_CID_1619; EC 209-691-5; DSSTox_RID_76239; DSSTox_GSID_21619; 4-01-00-03291 (Beilstein Handbook Reference); WLN: VH1Y1&1; DTXSID1021619; Isovaleraldehyde, >=97%, FG; ZINC896832; STR03918; Isovaleraldehyde, analytical standard; Tox21_200891; BBL027631; BDBM50028832; NSC404119; STL146355; AKOS000118930; NSC-404119; Isovaleraldehyde, natural, >=95%, FG; NCGC00248867-01; NCGC00258445-01; CAS-590-86-3; FT-0627530; I0192; Z4917; C07329; Q409554; J-512894; F2190-0631; 26140-47-6
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  Formula C5H10O
  Weight 86.13
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
  InChI Key YGHRJJRRZDOVPD-UHFFFAOYSA-N
  Isomeric SMILES CC(C)CC=O
  Canonical SMILES CC(C)CC=O
  External Links PubChem ID 11552
CAS ID 590-86-3
NPASS ID NPC289974
CHEMBL ID CHEMBL18360
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Salvia euphratica
  Factor Name: Variety Comparison [1]
              Species Info Factor Info
               Experiment Detail
Aerial parts of both varieties(Salvia euphratica Montbret et Aucher ex Benth. var. euphratica and Salvia euphratica Montbret et Aucher ex Benth. var. leiocalycina) were collected in Malatya, Turkey in June 1999.
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               Factor Function
Ninety-five compounds in var. euphratica and 94 compounds in var. leiocalycina were characterized representing 93% and 95% of the total components detected, respectively, with 1,8-cineole (13.8% and 15.2%) and myrtenyl acetate (15.9% and 13.9%) as main constituents.
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               Factor Part Location NP Content
 
Salvia euphratica var. euphratica
 Flowering aerial parts Turkey
NP Content: < 0.1 %
References
1 The Essential Oils of Two Varieties of Salvia euphratica Montbret et Aucher ex Benth. var. euphratica and var. leiocalycina (Rech. fil.) Hedge from Turkey