Details of Natural Product (NP)

General Information of Natural Product (ID: NP0698)
  Natural Product Name
Widdrol
  Synonyms
Widdrol; 6892-80-4; (7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol; SCHEMBL6519819; CHEMBL2253133; DTXSID50988627; 1,1,4a,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzo[7]annulen-7-ol; 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4aS-cis)-
Click to Show/Hide
  Formula C15H26O
  Weight 222.37
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1
  InChI Key BXGVVQADPFXGHD-LSDHHAIUSA-N
  Isomeric SMILES C[C@@]12CCCC(C1=CC[C@@](CC2)(C)O)(C)C
  Canonical SMILES CC1(CCCC2(C1=CCC(CC2)(C)O)C)C
  External Links PubChem ID 94334
CAS ID 6892-80-4
NPASS ID NPC218525
CHEMBL ID CHEMBL2253133
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Cassinia laevis
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Six samples of Cassinia laevis R. Br. (coughbush, wild rosemary) were gathered from Lowood, 45 km west of Brisbane to Murphy's Creek area 100 km west of Brisbane, Australia from 1994 to 1998. Samples were identified by a LAEV prefix. LAEV 1 and LAEV 4 were collected from the roadside verge of the Gatton-Toowoomba bypass road (Lat. 27° 32′ 21″ S; Long. 152° 14′ 28″ E). LAEV 2 and LAEV 5 were collected from a different location in the same area (Lat. 27° 33′ 08″ S; Long. 152° 15′ 00″ E). LAEV 7 were collected from the Murphy's creek area (Lat. 27° 31′ 05″ S; Long. 152° 04′ 15″ E), growing on the roadside and in an adjacent paddock. Sample LAEV 9, was collected from the roadside area of the Warrego Highway (Lat. 27° 32′ 10″ S; Long. 152° 27′ 12″ E). The collected leaf and flower samples had aromas of trampled grass with a slight hint of curry.
Click to Show/Hide
               Factor Function
Spathulenol was the major compound in flower oils (8-12%) compared to leaf oils (0.3-4.0%) which had ledol(37.5-53.6%) as the major compound.
Click to Show/Hide
               Factor Part Location NP Content
 
Flower: Sample 1 (Locality: roadside verge of the Gatton-Toowoomba, Brisbane, Queensland)
 Flowers Brisbane, Queensland, Australia
NP Content: 5.3 %
 
Flower: Sample 4 (Locality: Lat. 27º 33′ 08″ S; Long. 152º 15′ 00″ E, Brisbane, Queensland)
 Flowers Brisbane, Queensland, Australia
NP Content: 8.2 %
 
Flower: Sample 2 (Locality: roadside verge of the Gatton-Toowoomba, Brisbane, Queensland)
 Flowers Brisbane, Queensland, Australia
NP Content: 8 %
 
Leaf: Sample 3 (Locality: Lat. 27º 33′ 08″ S; Long. 152º 15′ 00″ E, Brisbane, Queensland)
 Leaves Brisbane, Queensland, Australia
NP Content: 3.8 %
 
Leaf: Sample 6 (Locality: Murphy's creek area, Brisbane, Queensland)
 Leaves Brisbane, Queensland, Australia
NP Content: 2.3 %
 
Leaf: Sample 5 (Locality: roadside area of the Warrego Highway, Brisbane, Queensland)
 Leaves Brisbane, Queensland, Australia
NP Content: 3.8 %
References
1 Cassinia laevis R. Br. Flower and Leaf Essential Oils