Details of Natural Product (NP)

General Information of Natural Product (ID: NP1145)
  Natural Product Name
3-Pinanone
  Synonyms
3-Pinanone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one; (E)-Pinocamphone; 15358-88-0; (1alpha,2beta,5alpha)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one; Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-; trans-3-Pinanone; 1S,2R,5R-3-Pinanone; D-Pinocamphone; Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-; Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2S,5S)-rel-; 2,6,6-trimethylnorpinan-3-one; trans-Pinocamphone; pinan-3-one; Pinocamphone, trans; (+)-3-Pinanone; (?)-3-Pinanone; Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-; SCHEMBL7839978; DTXSID60862166; CHEBI:171963; MFCD31630144; SY224505; 2,7,7-trimethyl-bicyclo[3.1.1]heptan-3-one; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, 9CI; Q67865674; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1.alpha.,2.alpha.,5.alpha.)-
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  Formula C10H16O
  Weight 152.23
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
  InChI Key MQPHVIPKLRXGDJ-UHFFFAOYSA-N
  Isomeric SMILES CC1C2CC(C2(C)C)CC1=O
  Canonical SMILES CC1C2CC(C2(C)C)CC1=O
  External Links PubChem ID 11038
CAS ID 15358-88-0

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Rosmarinus officinalis
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Samples of R. officinalis were collected in April 1998 during the full flowering period (Ro-1a), between June and July 1998 during the fruiting period (Ro-1b) and in December 1998 during the hibernation period (Ro-1c) from Cazorla, Segura y Las Villas Natural Park (province of Jaen, Spain). The plant material consisted of ca. 10 twigs per plant (with blossoming tips or not, depending of the harvesting date) from 5-10 single plants. Ro-1a (Location: Las Chozuelas, Altitude (m): 1150, Harvesting date: April 21, 1998, Phenological stage: Flowering); Ro-1b (Location: Las Chozuelas, Altitude (m): 1150, Harvesting date: June 19, 1998, Phenological stage: Fruiting); Ro-1c (Location: Las Chozuelas, Altitude (m): 1150, Harvesting date: December 30, 1998, Phenological stage: Hibernation).
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               Factor Function
The highest oil yields (161.8%) were recorded during the fruiting period (summer). In general, minimum amounts of camphor and maximum amounts of alpha-pinene were observed in winter. The concentration of 1,8-cineole was almost constant throughout the year, though other oil constituent levels varied randomly with the plant life cycle
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               Factor Part Location NP Content
 
Whole plant: Flowering stage
 Twigs Las Chozuelas, Southern Spain
NP Content: <0.1 %
 
Whole plant: Fruiting stage
 Twigs Las Chozuelas, Southern Spain
NP Content: <0.1 %
 
Hibernation stage
 Twigs Las Chozuelas, Southern Spain
NP Content: <0.1 %
References
1 Chemical Composition and Seasonal Variations of Rosemary Oil from Southern Spain