Details of Natural Product (NP)

General Information of Natural Product (ID: NP0355)
  Natural Product Name
Octanoic Acid
  Synonyms
octanoic acid; caprylic acid; 124-07-2; n-octanoic acid; Octylic acid; n-caprylic acid; octoic acid; n-octylic acid; n-Octoic acid; neo-fat 8; 1-heptanecarboxylic acid; Enantic acid; Octic acid; C-8 acid; Kaprylsaeure; Hexacid 898; Acido octanoico; Acide octanoique; 1-octanoic acid; Acidum octanocium; Fatty acids, C6-10; FEMA No. 2799; Kyselina kaprylova; capryloate; C8:0; octylate; Octansaeure; NSC 5024; UNII-OBL58JN025; OCTANOIC ACID (CAPRYLIC ACID); CHEBI:28837; Emery 657; Prifac 2901; Lunac 8-95; NSC-5024; MFCD00004429; CH3-[CH2]6-COOH; OBL58JN025; Caprylsaeure; NSC5024; EDENOR C 8-98-100; n-caprylate; n-octoate; n-octylate; NCGC00090957-01; 0ctanoic acid; 1-heptanecarboxylate; DSSTox_CID_1645; DSSTox_RID_76259; DSSTox_GSID_21645; OCA; Caprylic acid (natural); Acide octanoique [French]; Acido octanoico [Spanish]; Acidum octanocium [Latin]; Kyselina kaprylova [Czech]; Octanoic acid [USAN:INN]; 287111-09-5; CAS-124-07-2; CCRIS 4689; HSDB 821; EINECS 204-677-5; BRN 1747180; caprylic-acid; octanic acid; AI3-04162; acidum octanoicum; EINECS 273-085-7; Acid C8; Caprylic acid (NF); Kortacid 0899; Kortacid-0899; Neo-Fat 8S; Caprylic Acid 657; 287111-06-2; Prifac-2901; n-heptanecarboxylic acid; Octanoic acid (USAN); Fatty acids, C6-1O; Lunac 8-98; Heptane-1-carboxylic acid; Octanoic acid, >=98%; Octanoic acid, >=99%; bmse000502; Caprylic/Capric Acid Blend; EC 204-677-5; Octanoic acid-2-[13C]; SCHEMBL3933; WLN: QV7; NCIOpen2_002902; NCIOpen2_009358; Octanoic acid (USAN/INN); 4-02-00-00982 (Beilstein Handbook Reference); 68937-74-6; MLS002415762; Octanoic acid, >=96.0%; caprylic acid (octanoic acid); Octanoic acid (mixed isomers); CHEMBL324846; GTPL4585; Octanoic acid, >=98%, FG; QSPL 011; QSPL 184; DTXSID3021645; Octanoic acid-1,2-[13C2]; Octanoic acid-7,8-[13C2]; HMS2270A23; Octanoic acid, analytical standard; STR10050; ZINC1530416; Tox21_111045; Tox21_201279; Tox21_300345; BDBM50485608; LMFA01010008; s6296; STL282742; AKOS000118802; Octanoic acid, natural, >=98%, FG; DB04519; FA(8:0); MCULE-5193957469; Octanoic acid, for synthesis, 99.5%; NCGC00090957-02; NCGC00090957-03; NCGC00090957-04; NCGC00090957-05; NCGC00254446-01; NCGC00258831-01; HY-41417; M789; SMR001252279; CS-0016549; FT-0660765; O0027; C06423; D05220; Q409564; SR-01000865607; J-005040; SR-01000865607-2; BRD-K35170555-001-07-9; Z955123584; Octanoic acid, certified reference material, TraceCERT(R); UNII-13FB83DEYU component WWZKQHOCKIZLMA-UHFFFAOYSA-N; UNII-DI775RT244 component WWZKQHOCKIZLMA-UHFFFAOYSA-N; 43FDA9D7-2300-41E7-A373-A34F25B81553; Caprylic acid, European Pharmacopoeia (EP) Reference Standard; UNII-79P21R4317 component WWZKQHOCKIZLMA-UHFFFAOYSA-N; Caprylic acid, United States Pharmacopeia (USP) Reference Standard; Caprylic Acid (Octanoic Acid), Pharmaceutical Secondary Standard; Certified Reference Material
Click to Show/Hide
  Formula C8H16O2
  Weight 144.21
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
  InChI Key WWZKQHOCKIZLMA-UHFFFAOYSA-N
  Isomeric SMILES CCCCCCCC(=O)O
  Canonical SMILES CCCCCCCC(=O)O
  External Links PubChem ID 379
CAS ID 124-07-2
NPASS ID NPC301696
HIT ID C0258
CHEMBL ID CHEMBL324846
  NP Activity Charts   Click to show/hide
  Activity Info  

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Aquilaria agallocha
  Factor Name: Plant Pathogen Infection [1]
              Species Info Factor Info
               Experiment Detail
Artificial inoculation of fungal isolates: The most frequently isolated fungi from infected agarwood (e.g. Chaetomium globosum and Fusarium oxysporum) were inoculated to the healthy plants by artifi cial boring on to the plants. Inoculation was made with two different fungi alone and in their combination. Observations were made at an interval of 30 days after inoculation.
Click to Show/Hide
               Factor Function
This investigation showed a marked difference in the oil compositions among the treatments with regards to their quality. Valerianol (3.0%) and tetradec-anioc acid (7.1%) contents were recorded higher in the oils of naturally infected plants than in that of healthy ones (0.1% and 6.9%, respectively). Pentadecenoic acid was totally absent in the oils of healthy, whereas it was found in a greater amount (6.8%) in the oil of naturally infected plants. In contrast, dodecanoic acid (3.1%), pentadecanoic acid (6.2%), hexadecanoic acid (31.5%) and octadecanoic acid (4.1%) were found in a higher amount in the oils of healthy plants, while the oils obtained from naturally infected plants contained lower amounts of these components (2.5%, 4.8%, 20.0% and 1.0%, respectively). The oils obtained from the inoculated plants showed almost similar distribution of the components with healthy plants.
Click to Show/Hide
               Factor Part Location NP Content
 
Naturally infected plants (C. globosum or F. oxysporum)
 Wood chips India
NP Content: 2.1 %
      Species Name: Fritillaria imperialis
  Factor Name: Cultivar Comparison [2]
              Species Info Factor Info
               Experiment Detail
Plants of the F. imperialis cultivars Premier (very strong foxy odor) and Lutea (strong foxy odor), the F. imperialis subspecies Inodora (no odor), a cross between F. imperialis Lutea × Inodora (F1 generation, faint foxy odor) were grown from bulbs during the spring and early summer in clay soil near Midlum (Province of Friesland, The Netherlands). Bulbs, newly grown from these plants, were harvested in mid-June and stored, after removal of soil, at ambient temperature until analysis, which occurred in October and November.
Click to Show/Hide
               Factor Function
GC-O revealed that the foxy odor was caused by a single component, identified as 3-methyl-2-butene-1-thiol on the basis of smell in GC-O analyses (two GC columns), mass spectra, and retention times. The abundance of 3-methyl-2-butene-1-thiol is consistent with the intensity of foxy Fritillaria odor in the F. imperialis cultivars: Premier > Lutea >> Lutea × Inodora, where the latter did not show a detectable peak in GC-MS.
Click to Show/Hide
               Factor Part Location NP Content
 
Fritillaria imperialis cv. Inodora (no odor)
 Flowers Netherlends
NP Content: 0.8 %
 
Fritillaria imperialis cv. Lutea × Inodora (faint foxy odor)
 Flowers Netherlends
NP Content: 4 %
 
Fritillaria imperialis cv. Lutea (strong foxy odor)
 Flowers Netherlends
NP Content: 0.5 %
 
Fritillaria imperialis cv. Premier (very strong foxy odor)
 Flowers Netherlends
NP Content: 1.3 %
      Species Name: Thymus striatus
  Factor Name: Locality Variation [3]
              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
Click to Show/Hide
               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.
Click to Show/Hide
               Factor Part Location NP Content
 
Locality: Karadere, Kirklareli, Turkey
 Aerial parts Kirklareli, Turkey
NP Content: 0.1 %
References
1 Essential Oil of Eaglewood Tree: a Product of Pathogenesis
2 Identification of the Volatile Component(s) Causing the Characteristic Foxy Odor in Various Cultivars of Fritillaria imperialis L. (Liliaceae)
3 Essential Oils of Thymus striatus Vahl var. interruptus Jalas from Turkey