Details of Natural Product (NP)

General Information of Natural Product (ID: NP0666)
  Natural Product Name
4-Acetyl-1-Methylcyclohexene
  Synonyms
4-Acetyl-1-methyl-1-cyclohexene; 6090-09-1; 4-Acetyl-1-methylcyclohexene; 1-(4-methylcyclohex-3-en-1-yl)ethanone; Ethanone, 1-(4-methyl-3-cyclohexen-1-yl)-; Limona ketone; 1-(4-Methyl-3-cyclohexen-1-yl)ethanone; 1-(4-methylcyclohex-3-en-1-yl)ethan-1-one; Cyclohexene, 1-methyl-4-acetyl; Cyclohexene, 4-acetyl-1-methyl; 1-Methyl-4-acetyl-1-cyclohexene; 1-Methyl-4-acetylcyclohex-1-ene; 4-acetyl-1-methylcyclohex-1-ene; NSC632952; Methyl 4-methyl-3-cyclohexen-1-yl ketone; 1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONE; 70286-20-3; Tetrahydro-p-acetyltoluene; 1-methyl-4-acetylcyclohexene; 4-acetyl-1-methyl-cyclohexene; SCHEMBL1783157; CHEMBL1990994; HOBBEYSRFFJETF-UHFFFAOYSA-; DTXSID20867915; CHEBI:168849; 3-(2-(Diethylamino)ethyl)-Indole; ACT08753; AMY10950; MFCD00010612; 1-(4-methylcyclohex-3-enyl)ethanone; N,N-Diethyl-1H-Indole-3-ethanamine; AKOS006283066; DS-2368; MCULE-3149377803; NSC-632952; 1-(4-methyl-1-cyclohex-3-enyl)ethanone; NCI60_010892; 1-(4-methyl-1-cyclohex-3-enyl)-ethanone; 4-Methyl-3-cyclohexen-1-yl methyl ketone; Ketone, methyl 4-methyl-3-cyclohexen-1-yl; CS-0033709; Z4935; METHYL 4-METHYL-3-CYCLOHEXENYL KETONE; A26293; 1',2',3',6'-Tetrahydro-4'-methylacetophenone; 1-(4-Methyl-3-cyclohexen-1-yl)ethanone, 9CI; J-514281; Q67866106
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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/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
  InChI Key HOBBEYSRFFJETF-UHFFFAOYSA-N
  Isomeric SMILES CC1=CCC(CC1)C(=O)C
  Canonical SMILES CC1=CCC(CC1)C(=O)C
  External Links PubChem ID 93019
CAS ID 6090-09-01
NPASS ID NPC91962
CHEMBL ID CHEMBL1990994
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Bocageopsis multiflora
  Factor Name: Seasonal Variation [1]
              Species Info Factor Info
               Experiment Detail
Bocageopsis multiflora leaves were collected in the Adolpho Ducke reserve, Km 26 Manaus - Itacoatiara highway, in the State of Amazonas, Brazil. This species was collected in the rainy (April 2010) and dry seasons (September 2010).
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               Factor Function
The main constituent of the oil collected in the rainy season was bisabolene (13.2%), while the main constituent in the dry season was spathulenol (16.2%). The highest yield (0.3%) was obtained for the oil collected in the rainy season.
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               Factor Part Location NP Content
 
Harvesting time: Rainy season
 Leaves Brazil
NP Content: 1 %
 
Harvesting time: Dry season
 Leaves Brazil
NP Content: 2.5 %
      Species Name: Thymus striatus
  Factor Name: Locality Variation [2]
              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: <0.1 %
References
1 Chemical composition and biological activities of Bocageopsis multiflora essential oil
2 Essential Oils of Thymus striatus Vahl var. interruptus Jalas from Turkey