Metabolite List

metabolites which its exact mass nearly 204.1878 with tolerance error 0.01 da.

(-)-5-Epieremophilene (BioCAD00000000003)
Formula: C15H24 (Exact Mass: 204.1878)

(-)-5-Epieremophilene is a minor sesquiterpene constituent found in the essential oils of certain plants (e.g., Achillea species), but no significant or well-established biological function has been documented for this specific enantiomer. It is primarily recognized as a phytochemical marker in plant taxonomy or chemotaxonomy. While related terpenes (e.g., eremophilene) may exhibit weak antimicrobial or anti-inflammatory activities in in vitro studies, (-)-5-Epieremophilene itself lacks evidence of notable pharmacological, ecological, or physiological roles in biological systems. Research remains limited, and it is not considered a bioactive compound of therapeutic interest.

(Note: This compound is rarely studied in isolation; most research focuses on dominant terpenes in plant extracts.)

plant natural products marine natural products
(-)-α-Amorphene (BioCAD00000000010)
Formula: C15H24 (Exact Mass: 204.1878)

A member of the cadinene family of sesquiterpenes having a 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene skeleton with 1S,4aR,8aS-stereochemistry. It is isolated from the essential oils of several plant species." []

plant natural products
(-)-α-Cedrene (BioCAD00000000012)
Formula: C15H24 (Exact Mass: 204.1878)

(-)-α-Cedrene is a naturally occurring sesquiterpene hydrocarbon with the chemical formula C15H24. It is primarily extracted from the essential oils of various coniferous trees, particularly those of the Cedrus genus. The compound possesses a characteristic, rich, and woody aroma, which makes it highly valued in the fragrance and flavor industry as a key ingredient for imparting cedar notes. Chemically, it features a bicyclic structure, and the (-)-enantiomer is the predominant optically active form found in nature. Beyond its olfactory applications, (-)-α-Cedrene has attracted interest in scientific research due to its potential biological activities, including antimicrobial and insecticidal properties.

plant natural products marine natural products
(-)-α-Cuprenene (BioCAD00000000013)
Formula: C15H24 (Exact Mass: 204.1878)

A sesquiterpene that consists of cyclohexa-1,3-diene bearing a methyl substituent at position 1 and an (S)-1,2,2-trimethylcyclopent-1-yl group at position 4." []

plant natural products
(-)-α-Gurjunene (BioCAD00000000014)
Formula: C15H24 (Exact Mass: 204.1878)

Alpha-Gurjunene or (-)-Alpha-Gurjunene, belongs to the class of organic compounds known as 5,10-cycloaromadendrane sesquiterpenoids. These are aromadendrane sesquiterpenoids that arise from the C5-C10 cyclization of the aromadendrane skeleton. It is formally classified as a polycyclic hydrocarbon although it is biochemically a sesquiterpenoid as it synthesized via isoprene units. Sesquiterpenes are terpenes that contain 15 carbon atoms and are comprised of three isoprene units. The biosynthesis of sesquiterpenes is known to occur mainly through the mevalonic acid pathway (MVA), in the cytosol. However, recent studies have found evidence of pathway crosstalk with the methyl-erythritol-phosphate (MEP) pathway in the cytosol. Farnesyl diphosphate (FPP) is a key intermediate in the biosynthesis of cyclic sesquiterpenes. FPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Alpha-Gurjunene is a neutral, hydrophobic molecule that is insoluble in water. It exists as a colorless clear Liquid and has a woody, balsamic odor. It is used as a perfuming agent. Alpha-gurjunene is found in many plants, essential oils and foods including allspice, bay leaf, carrot seeds, eucalyptus, guava, parsley, black papper, sage and tea tree oil.

microbial natural products plant natural products marine natural products
(-)-delta-Cadinene (BioCAD00000000042)
Formula: C15H24 (Exact Mass: 204.1878)

A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer)." []

plant natural products
(-)-endo-α-Bergamotene (BioCAD00000000046)
Formula: C15H24 (Exact Mass: 204.1878)

(-)-endo-alpha-bergamotene is a cis-alpha-bergamotene that has (S,S,S)-configuration. It has a role as a plant metabolite. (-)-Endo-alpha-bergamotene is a natural product found in Humulus lupulus, Perilla frutescens, and other organisms with data available. See also: Cannabis sativa subsp. indica top (part of).

microbial natural products plant natural products
(-)-exo-α-Bergamotene (BioCAD00000000052)
Formula: C15H24 (Exact Mass: 204.1878)

(-)-exo-alpha-bergamotene is an alpha-bergamotene that has (1S,5S,6R)-configuration. See also: Cannabis sativa subsp. indica top (part of).

plant natural products
(-)-gamma-Cadinene (BioCAD00000000053)
Formula: C15H24 (Exact Mass: 204.1878)

gamma-Cadinene is found in allspice. gamma-Cadinene is a constituent of citronella oil.

saliva plant natural products
(-)-Germacrene D (BioCAD00000000054)
Formula: C15H24 (Exact Mass: 204.1878)

Germacrene d, also known as germacrene d, (s-(e,e))-isomer, is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrene d can be found in a number of food items such as peppermint, roman camomile, hyssop, and common walnut, which makes germacrene d a potential biomarker for the consumption of these food products.

plant natural products marine natural products
(+)-2-epi-Prezizaene (BioCAD00000000120)
Formula: C15H24 (Exact Mass: 204.1878)

A tricyclic hydrocarbon and sesquiterpene that is octahydro-1H-3a,6-methanoazulene which is substituted by a methylidene group at position 7 and by methyl groups at positions 3, 8, and 8." []

(+)-α-Barbatene (BioCAD00000000134)
Formula: C15H24 (Exact Mass: 204.1878)

A carbotricyclic compound and sesquiterpene that is 1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene that is substituted by methyl groups at the 3a, 4, 7 and 8a positions (the 3aR,4R,8R,8aS-diastereoisomer)." []

plant natural products
(+)-α-Santalene (BioCAD00000000136)
Formula: C15H24 (Exact Mass: 204.1878)

(+)-alpha-santalene is a sesquiterpene consisting of a tricyclo[2.2.1.0(2,6)]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1S,2R,4S,6R,7R diastereoisomer). It is a sesquiterpene and a bridged compound.

plant natural products
(+)-β-Caryophyllene (BioCAD00000000140)
Formula: C15H24 (Exact Mass: 204.1878)

(+)-beta-caryophyllene is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form. It has a role as a metabolite. It is an enantiomer of a (-)-beta-caryophyllene. (+)-beta-Caryophyllene has been reported in Morithamnus crassus, Solanum tuberosum, and other organisms with data available. See also: Caryophyllene (is enantiomer of).

plant natural products microbial natural products
Ethambutol (BioCAD00000010748)
Formula: C10H24N2O2 (Exact Mass: 204.1838)

An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863)

blood urine
Tibutol (BioCAD00000186321)
Formula: C10H24N2O2 (Exact Mass: 204.1838)

2-[2-(1-hydroxybutan-2-ylamino)ethylamino]-1-butanol is an amino alcohol.

blood
2-[2-(1-hydroxybutan-2-ylamino)ethylamino]-1-butanol (BioCAD00000485332)
Formula: C10H24N2O2 (Exact Mass: 204.1838)

MMV687801 (BioCAD00000780215)
Formula: C10H24N2O2 (Exact Mass: 204.1838)