NCBI Taxonomy: 1550834

Brickellia lemmonii (ncbi_taxid: 1550834)

found 74 associated metabolites at species taxonomy rank level.

Ancestor: Brickellia

Child Taxonomies: none taxonomy data.

alpha-Humulene

trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

C15H24 (204.18779039999998)


alpha-Humulene, also known as alpha-caryophyllene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Thus, alpha-humulene is considered to be an isoprenoid lipid molecule. alpha-Humulene is found in allspice. alpha-Humulene is a constituent of many essential oils including hops (Humulus lupulus) and cloves (Syzygium aromaticum). (1E,4E,8E)-alpha-humulene is the (1E,4E,8E)-isomer of alpha-humulene. Humulene is a natural product found in Nepeta nepetella, Teucrium montanum, and other organisms with data available. See also: Caryophyllene (related). α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1]. α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1].

   

beta-Caryophyllene

trans-(1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

C15H24 (204.18779039999998)


beta-Caryophyllene, also known as caryophyllene or (−)-β-caryophyllene, is a natural bicyclic sesquiterpene that is a constituent of many essential oils including that of Syzygium aromaticum (cloves), Cannabis sativa, rosemary, and hops. It is usually found as a mixture with isocaryophyllene (the cis double bond isomer) and α-humulene (obsolete name: α-caryophyllene), a ring-opened isomer. beta-Caryophyllene is notable for having both a cyclobutane ring and a trans-double bond in a nine-membered ring, both rarities in nature (Wikipedia). beta-Caryophyllene is a sweet and dry tasting compound that can be found in a number of food items such as allspice, fig, pot marjoram, and roman camomile, which makes beta-caryophyllene a potential biomarker for the consumption of these food products. beta-Caryophyllene can be found in feces and saliva. (-)-Caryophyllene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=87-44-5 (retrieved 2024-08-07) (CAS RN: 87-44-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). β-Caryophyllene is a CB2 receptor agonist. β-Caryophyllene is a CB2 receptor agonist.

   

Germacrene D

(1E,6E,8S)-1-methyl-8-(1-methylethyl)-5-methylidenecyclodeca-1,6-diene

C15H24 (204.18779039999998)


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.

   

Germacrene D

1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]-

C15H24 (204.18779039999998)


(-)-germacrene D is a germacrene D. It is an enantiomer of a (+)-germacrene D. (-)-Germacrene D is a natural product found in Teucrium montanum, Stachys obliqua, and other organisms with data available. See also: Clary Sage Oil (part of).

   

caryophyllene

(-)-beta-Caryophyllene

C15H24 (204.18779039999998)


A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents β-Caryophyllene is a CB2 receptor agonist. β-Caryophyllene is a CB2 receptor agonist.

   

Humulene

trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

C15H24 (204.18779039999998)


α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1]. α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 μg/mL). α-Humulene inhibits COX-2 and iNOS expression[1].

   

(3s)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentan-1-ol

(3s)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentan-1-ol

C20H36O2 (308.2715156)


   

5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O4 (336.2300472)


   

5-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

5-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O4 (336.2300472)


   

(1r,4ar,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

(1r,4ar,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O4 (332.19874880000003)


   

(1s,4as,5r,8as)-5-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O4 (336.2300472)


   

(2e)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-ol

(2e)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-ol

C20H34O2 (306.2558664)


   

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid

C20H34O3 (322.25078140000005)


   

(1s,4as,5r,8as)-5-[(3e)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-[(3e)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O4 (336.2300472)


   

4-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one

4-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one

C20H30O3 (318.21948299999997)


   

5-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl 2-methylbut-2-enoate

5-[5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl 2-methylbut-2-enoate

C25H40O5 (420.28755900000004)


   

(1s,4as,5r,8as)-5-[(3r)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-[(3r)-4-carboxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O4 (336.2300472)


   

(1z,6z,8s)-8-isopropyl-1-methyl-5-methylidenecyclodeca-1,6-diene

(1z,6z,8s)-8-isopropyl-1-methyl-5-methylidenecyclodeca-1,6-diene

C15H24 (204.18779039999998)


   

2-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol

2-{2-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol

C20H34O3 (322.25078140000005)


   

(2z)-2-{2-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol

(2z)-2-{2-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol

C20H34O3 (322.25078140000005)


   

5-[2-(2-hydroxy-5-oxo-2h-furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

5-[2-(2-hydroxy-5-oxo-2h-furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O5 (348.1936638)


   

(1s,4as,5r,8as)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O3 (316.2038338)


   

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-ol

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-en-1-ol

C20H34O2 (306.2558664)


   

(1s,2r,4as,5r,8as)-5-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl (2z)-2-methylbut-2-enoate

(1s,2r,4as,5r,8as)-5-[(3z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-2-yl (2z)-2-methylbut-2-enoate

C25H40O5 (420.28755900000004)


   

4-{2-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one

4-{2-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one

C20H30O3 (318.21948299999997)


   

(3r)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid

(3r)-5-[(1r,4as,5s,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid

C20H34O3 (322.25078140000005)


   

(1s,4as,5r,8as)-5-{2-[(2s)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-{2-[(2s)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O5 (348.1936638)


   

5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O3 (316.2038338)


   

1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O4 (332.19874880000003)


   

(1s,4as,5r,8as)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O4 (332.19874880000003)


   

1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O4 (332.19874880000003)


   

(1s,4as,5r,8as)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

C20H32O3 (320.23513219999995)


   

(1s,4as,5r,8as)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

(1s,4as,5r,8as)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydro-2h-naphthalene-1-carboxylic acid

C20H28O4 (332.19874880000003)


   

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentan-1-ol

5-[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentan-1-ol

C20H36O2 (308.2715156)