Details of Natural Product (NP)

General Information of Natural Product (ID: NP0330)
  Natural Product Name
Isophorone
  Synonyms
ISOPHORONE; 78-59-1; Isoacetophorone; 3,5,5-Trimethylcyclohex-2-en-1-one; Isoforone; Isoforon; Izoforon; 3,5,5-Trimethylcyclohex-2-enone; 3,5,5-Trimethyl-2-cyclohexen-1-one; Isooctopherone; 2-Cyclohexen-1-one, 3,5,5-trimethyl-; alpha-Isophorone; 1,1,3-Trimethyl-3-cyclohexene-5-one; Isophoron; 3,5,5-Trimethyl-2-cyclohexenone; 3,5,5-Trimethyl-2-cyclohexen-1-on; .alpha.-Isophoron; NCI-C55618; UNII-2BR99VR6WA; 3,5,5-Trimetil-2-cicloesen-1-one; .alpha.-Isophorone; Isophorone, 97%; NSC 403657; 3,5,5-Trimethyl-2-cyclohexene-1-one; 2BR99VR6WA; CHEBI:34800; NSC4881; 3,5,5-Trimethylcyclohexen-2-one-1; 3,3,5-Trimethyl-2-cyclohexen-1-one; DSSTox_CID_759; DSSTox_RID_75774; DSSTox_GSID_20759; Izoforon [Polish]; 3,5-Trimethyl-2-cyclohexenone; Isoforone [Italian]; Caswell No. 506; 3,5-Trimetil-2-cicloesen-1-one; 3,5-Trimethyl-2-cyclohexen-1-one; 1,3-Trimethyl-3-cyclohexene-5-one; 3,5-Trimethyl-2-cyclohexene-1-one; WLN: L6V BUTJ C1 D1 D1; 2-Cyclohexen-1-one,5,5-trimethyl-; CAS-78-59-1; FEMA No. 3553; CCRIS 1353; HSDB 619; ISOPHORONE, REAG; EINECS 201-126-0; 3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH); EPA Pesticide Chemical Code 047401; BRN 1280721; 3,5,5-Trimethylcyclohexenone; a-Isophorone; AI3-00046; 3,5,5-Trimethylcyclohexen one; alpha -isophoron; alpha -isophorone; 3,5,5-Trimetil-2-cicloesen-1-one [Italian]; nchem.180-comp3; 3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]; 1,5,5-Trimethyl-1-cyclohexen-3-one; Isophorone Reagent Grade; EC 201-126-0; SCHEMBL22522; Isophorone, >=97%, FG; 4-07-00-00165 (Beilstein Handbook Reference); BIDD:ER0627; Isophorone, analytical standard; CHEMBL1882894; DTXSID8020759; FEMA 3553; 3,5,5-trimethyl-cyclohex-2-enone; HY-Y0932; Isophorone-2,4,4,6,6-[d5]; NSC-4881; Tox21_202312; Tox21_300050; BBL027346; MFCD00001584; NSC403657; s2998; STK801792; ZINC14822379; AKOS000120392; 3,5,5-trimethylcyclohex-2-ene-1-one; 3,5,5-trimethylcyclohexa-2-en-1-one; MCULE-5564101474; NSC-403657; 3,3,5-trimethyl-cyclohex-5-en-1-one; 3,5,5-trimethyl-cyclohex-2-en-1-one; 1,1, 3-Trimethyl-3-cyclohexene-5-one; 3,5, 5-Trimethyl-2-cyclohexene-1-one; NCGC00164006-01; NCGC00164006-02; NCGC00164006-03; NCGC00254115-01; NCGC00259861-01; 3,3,5-trimethyl-cyclohex-5 -en-1-one; AC-10580; K387; VS-08530; Isophorone, Vetec(TM) reagent grade, 97%; CS-0015924; FT-0627443; I0151; D72515; A839454; Q415519; W-104274; F0001-2053
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  Formula C9H14O
  Weight 138.21
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
  InChI Key HJOVHMDZYOCNQW-UHFFFAOYSA-N
  Isomeric SMILES CC1=CC(=O)CC(C1)(C)C
  Canonical SMILES CC1=CC(=O)CC(C1)(C)C
  External Links PubChem ID 6544
CAS ID 78-59-1
NPASS ID NPC64866
CHEMBL ID CHEMBL1882894
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Eucalyptus camaldulensis
  Factor Name: Variety Comparison [1]
              Species Info Factor Info
               Experiment Detail
Fresh leaves of the E. camaldulensis varieties(var. mysore and var. Catharine) were collected from 12 mature trees growing in Agodi Gardens, Ibadan, Nigeria.
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               Factor Function
The quantitatively significant constituents in die leaf oil of the two E. camaldulensis varieties were beta-pinene (9.0-17.5%), 1,8-cineole (32.8-70.4%), (Z)-beta-ocimene (11.6%) and alpha-pinene (8.8%). Monoterpenoids also made up the bulk of the two volatile oils (89.0-95.7%).
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               Factor Part Location NP Content
 
Eucalyptus camaldulensis var. mysore
 Leaves Nigeria
NP Content: 0.5 %
References
1 Essential Oil Composition of Two Varieties of Eucalyptus camaldulensis Dehn. from Nigeria