Details of Natural Product (NP)

General Information of Natural Product (ID: NP0750)
  Natural Product Name
Beta-Cadinene
  Synonyms
BETA-CADINENE; Cadina-3,9-diene; Cadine-3,9-diene; 523-47-7; NCI-C56008; b-cadinene; UNII-Z07LA0GY4J; (-)-beta-Cadinene; (-)-.beta.-Cadinene; .beta.-Cadinene, (-)-; Z07LA0GY4J; CHEBI:27723; NSC46152; Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-; beta-Cadinene, (-)-; Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-; CCRIS 5894; HSDB 4355; NSC 46152; (+)-beta-cadinene; C09625; Cadina-3,9-diene (8CI); Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-; CHEMBL3120653; DTXSID0024713; ZINC8234281; NSC-46152; LMPR0103330003; Q27103285; Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-; (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene; 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-; Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))- (9CI); Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
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  Formula C15H24
  Weight 204.35
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
  InChI Key USDOQCCMRDNVAH-KKUMJFAQSA-N
  Isomeric SMILES CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C
  Canonical SMILES CC1=CCC2C(C1)C(CC=C2C)C(C)C
  External Links PubChem ID 10657
CAS ID 523-47-7
CHEMBL ID CHEMBL3120653
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Eugenia chlorophylla
  Factor Name: Developmental Stage Variation [1]
              Species Info Factor Info
               Experiment Detail
Plant material was collected at vegetative stage (stems and leaves,September 2005) and at flowering stage (leaves and flowers,December 2004), inCuritiba,Parana state, Brazil.
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               Factor Function
Thirty-four components were identified, representing more than 80% of total oil. The major components were beta-caryophyllene (flowers-12.8%), caryophyllene oxide (stems-17.2%), globulol (stems-16.5%; leaves-22.5% at vegetative stage and 18.9% at flowering stage), 1-epi-cubenol (stems-10.9%), epi-alpha-muurolol (stems-16.8%) and alpha-cadinol (stems-12.1%; flowers-10.1%).
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               Factor Part Location NP Content
 
Flower: flowering stage
 Flowers Brazil
NP Content: 2.5 %
 
Leaf: flowering stage
 Leaves Brazil
NP Content: 0.8 %
 
Leaf: vegetative stage
 Leaves Brazil
NP Content: 1.7 %
 
Stem: vegetative stage
 Stems Brazil
NP Content: 0.2 %
      Species Name: Hyptis mutabilis
  Factor Name: Developmental Stage Variation [2]
              Species Info Factor Info
               Experiment Detail
It was collected in Lujan, Ayacucho Department, San Luis, Argentina, in the vegetative flowering stage (February 1997) and at flowering-fructification (April 1996).
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               Factor Function
Flowering and flowering-fructification, did not differ in regard to the composition of analyzed sesquiterpenes but showed variation in the relative concentration of one of its constituents. Twenty-four compounds were identified, which represented 93-5% of the oil in the flowering stage and 92.5% of it in the flowering-fructification one. The oil was found to contain beta-caryophyllene (14.3-12.0%), germacrene D (14.7-15.3%), curzerene (11.5-12.7%) and bicyclogermacrene (12.1-14.2%) as major compounds.
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               Factor Part Location NP Content
 
Aerial part: Flowering stage
 Aerial parts San Luis, Argentina
NP Content: 1.07 %
 
Aerial part: flowering-fructification stage
 Aerial parts San Luis, Argentina
NP Content: 1.42 %
      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: 0.6 %
 
Locality: Mohakambo yaylasi, Caykara, Bayburt, Eskisehir, Turkey
 Aerial parts Eskisehir, Turkey
NP Content: 0.4 %
References
1 Chemical Composition and Antimicrobial Activity of Essential Oils of Eugenia chlorophylla (Myrtaceae)
2 Essential Oil of Hyptis mutabilis (Rich.) Briq. Grown in San Luis, Argentina
3 Composition of the Essential Oil of Thymus pseudopulegioides Klokov et Des.-Shost from Turkey