General Information of Natural Product (ID: NP0280)
  Natural Product Name
5-Methylheptan-3-One
  Synonyms
5-Methylheptan-3-one; 5-METHYL-3-HEPTANONE; 541-85-5; 3-Heptanone, 5-methyl-; Ethyl sec-amyl ketone; Ethyl 2-methylbutyl ketone; 3-Methyl-5-heptanone; 2-Methylbutyl ethyl ketone; EINECS 208-793-7; NSC 100734; BRN 0506345; ethyl amyl cetone; 5-methyl 3-heptanone; 5-Methylheptanone-(3); EC 208-793-7; DSSTox_CID_27047; DSSTox_GSID_47047; 4-01-00-03344 (Beilstein Handbook Reference); SCHEMBL104058; DTXSID9047047; WLN: 2Y1&1V2; Tox21_303912; 7787AB; BBL011426; LMFA12000112; MFCD00009340; NSC100734; STL146533; AKOS000121337; AKOS016843699; MCULE-8568086135; NSC-100734; 5-Methyl-3-heptanone, >=94% (GC); NCGC00357162-01; CAS-541-85-5; VS-02946; Ethyl amyl ketone (5-Methyl-3-heptanone); DB-052510; FT-0620622; M0335
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  Formula C8H16O
  Weight 128.21
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
  InChI Key PSBKJPTZCVYXSD-UHFFFAOYSA-N
  Isomeric SMILES CCC(C)CC(=O)CC
  Canonical SMILES CCC(C)CC(=O)CC
  External Links PubChem ID 7822
CAS ID 541-85-5

 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 %
 
Salvia euphratica var. leiocalycina
Flowering aerial parts Turkey
NP Content: 0.1 %
      Species Name: Thymus leucostomus
  Factor Name: Altitude Variation [2]
              Species Info Factor Info
               Experiment Detail
Herbal parts were collected from A = Eskisehir: Suluagac village in Turkey, altitude 1100 m, in July 1990 and B = Corum: Osmancik, Berk village in Turkey, altitude 580-600 m, on 22 June 1993.
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               Factor Function
One chemotype (Suluagac village, Eskisehir, Turkey) contained carvacrol (21.59%), p-cymene (17.80%) and thymol (14.10%); and the other chemotype (Berk village, Corum, Turkey) contained alpha-terpinyl acetate (23.80%), borneol (12.85%), linalool (13.67%) and thymol (11.31%) as major constituents.
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               Factor Part Location NP Content
 
Locality: Suluagac village, Eskisehir, Turkey; Altitude 1100 m
Herbal parts Turkey
NP Content: 1.17 %
 
Locality: Berk village, Corum, Turkey; Altitude 580-600 m
Herbal parts Turkey
NP Content: 0.2 %
      Species Name: Thymus pseudopulegioides
  Factor Name: Locality Variation [3]
              Species Info Factor Info
               Experiment Detail
Plant materials were collected from the following localities in north western Turkey. A = Trabzon: Caykara, Soganli dag on July 28, 1994; B = Bayburt: Caykara, Mohakambo yaylasi on July 25, 1994; C = Trabzon: Koprubasi, Vizara yaylasi on July 20, 1994.
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               Factor Function
One hundred and four compounds were identified representing 97.5-99.5% of the total components detected in thymol/carvacrol (50.14/10.67%), thymol/linalool (23.14/20.24%) and linalool/alpha-terpinyl acetate/geraniol (21.55/16.70/11.17%) rich oils.
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               Factor Part Location NP Content
 
Locality: Soganli dag, Caykara, Trabzon, Eskisehir, Turkey
Aerial parts Eskisehir, Turkey
NP Content: 0.7 %
 
Locality: Mohakambo yaylasi, Caykara, Bayburt, Eskisehir, Turkey
Aerial parts Eskisehir, Turkey
NP Content: 0.5 %
 
Locality: Vizara yaylasi, Koprubasi, Trabzon, Eskisehir, Turkey
Aerial parts Eskisehir, Turkey
NP Content: 0.2 %
      Species Name: Thymus striatus
  Factor Name: Locality Variation [4]
              Species Info Factor Info
               Experiment Detail
Aerial parts of the plant were collected from four localities: A = Kirklareli: Karadere in May 1991; B = Kirklareli: Karahamza Village in May 1990; C = Kirklareli: Evciler Village on 13 June 1993; D = Kirklareli: Korukoy on 25 May 1994
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               Factor Function
The four oils obtained from plants collected in different localities of the same region gave quite different compositions as follows: A: thymol (10.5%), 1,8-cineole (9.96%), p-cymene (9.48%), carvacrol (5.28%); B: beta-caryophyllene (29.50%), carvacrol(20.59%); C: thymol (34.7%), beta-caryophyllene (12.74%), carvacrol (5.24%); D: beta-caryophyllene (56.48%), germacrene D (11.12%), carvacrol (4.85%). Since the identities of the plant materials were checked repeatedly, any misidentification is ruled out. Except for A and C, all the other materials showed beta-caryophyllene as the major constituent. Carvacrol (20.59%) was present in good amount in the oil of B. In A, however, high percentages of 1,8-cineole (10%) and p-cymene (9.5%) were significant. This oil contained only a trace amount of beta-caryophyllene. Four isomeric caryophyllene alcohols were detected in the oil B. The results clearly indicate that the oil of T. striatus var. interruptus has no consistency and we can safely suggest that there are at least three chemotypes, namely thymol/1,8-cineole/p-cymene-type; thymol/beta-caryophyllene-type; and beta-caryophyllene-type, of this species.
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               Factor Part Location NP Content
 
Locality: Karadere, Kirklareli, Turkey
Aerial parts Kirklareli, Turkey
NP Content: 4.8 %
 
Locality: Karahamza Village, Kirklareli, Turkey
Aerial parts Kirklareli, Turkey
NP Content: 0.2 %
 
Locality: Evciler Village, Kirklareli, Turkey
Aerial parts Kirklareli, Turkey
NP Content: 0.5 %
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
2 Essential Oil of Thymus leucostomus Hausskn. et Velen. var. leucostomus
3 Composition of the Essential Oil of Thymus pseudopulegioides Klokov et Des.-Shost from Turkey
4 Essential Oils of Thymus striatus Vahl var. interruptus Jalas from Turkey