Details of Natural Product (NP)

General Information of Natural Product (ID: NP1951)
  Natural Product Name
Isophytol + Phytol
  Synonyms
ISOPHYTOL; 505-32-8; 3,7,11,15-Tetramethylhexadec-1-en-3-ol; 3,7,11,15-Tetramethyl-1-hexadecen-3-ol; 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-; UNII-A831ZI6VIM; NSC 93744; 2,6,10,14-Tetramethylhexadec-15-en-14-ol; A831ZI6VIM; 1-Hexadecene-3-ol, 3,7,11,15-tetramethyl; HSDB 5673; EINECS 208-008-8; AI3-25090; 2,6,10-Trimethyl-14-vinylpentadecan-14-ol; (R,R)-Isophytol; 1-phyten-3-ol; Isophytol, >95%; DSSTox_CID_5474; EC 208-008-8; Isophytol, >=97.0%; DSSTox_RID_77800; DSSTox_GSID_25474; SCHEMBL21429; MLS002415735; CHEMBL453797; DTXSID2025474; s162; HMS3039F03; NSC93744; Tox21_200139; MFCD00048380; NSC-93744; STK675859; AKOS005593873; MCULE-8561818472; NCGC00090800-01; NCGC00090800-02; NCGC00090800-03; NCGC00257693-01; AC-19997; BS-42420; CAS-505-32-8; SMR001370903; DB-051788; 3,7,11,15-tetramethyl-1-hexadecene-3-ol; FT-0632244; I0145; 1-Hexadecyl-3-ol, 3,7,11,15-tetramethyl; 3,7,11,15-Tetramethyl-1-hexadecen-3-ol #; D91087; 3,7,11,15-tetramethyl-3-hydroxy-1-hexadecene; Hexadec-1-en-3-ol, 3,7,11,15-tetramethyl-; 1-Hexadecen-3-ol,7,11,15-tetramethyl- (VAN8C; SR-01000526357; SR-01000526357-1; W-105953; Q26841319; 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- (VAN) (8CI)(9CI)
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  Formula C20H40O
  Weight 296.5
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
  InChI Key KEVYVLWNCKMXJX-UHFFFAOYSA-N
  Isomeric SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
  Canonical SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
  External Links PubChem ID 10453
CAS ID 505-32-8
NPASS ID NPC131623
CHEMBL ID CHEMBL453797
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Glechoma hederacea
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Samples of Glechoma hederacea were collected at full flowering in seven localities in Vilnius district (Lithuania) at 2005: A - Salininkai, B -Zolyno, C - Mistunai, D -Antakalnis, E - Nemencine, F - Seskine, G -Zujunai.
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               Factor Function
More than half of the oils were rich in sesquiterpene hydrocarbons (56.5-67.9%). The most predominant compound was germacrene D (14.1-20.7%). The other main constituents were gamma-elemene (9.0-16.0%), beta-elemene (8.7-12.9%), phytols (2.8-15.6%), (Z)-beta-ocimene (2.2-8.5%), 1,8-cineole (92.2-5.4%), beta-ylangene (2.7-4.1%) and germacrene B (2.2-3.9%). Forty-three identified compounds made up 89.1-96.2%. Four oils (A, D-G) might be attributed to germacrene / elemene chemotype and three samples (A-C) containing marked amounts of phytols beside above compounds were of germacrene/elemene/phytols chemotype.
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               Factor Part Location NP Content
 
Locality: Salininkai, Lithuania
 Aerial parts Lithuania
NP Content: 10 %
 
Locality: Zolyno, Lithuania
 Aerial parts Lithuania
NP Content: 15.6 %
 
Locality: Mistunai, Lithuania
 Aerial parts Lithuania
NP Content: 9.8 %
 
Locality: Antakalnis, Lithuania
 Aerial parts Lithuania
NP Content: 4.7 %
 
Locality: Nemencine, Lithuania
 Aerial parts Lithuania
NP Content: 5.9 %
 
Locality: Seskine, Lithuania
 Aerial parts Lithuania
NP Content: 5.6 %
 
Locality: Zujunai, Lithuania
 Aerial parts Lithuania
NP Content: 2.8 %
References
1 The Essential Oil of Ground Ivy (Glechoma hederacea L) Growing Wild In Eastern Lithuania