Exact Mass: 234.1454
Exact Mass Matches: 234.1454
Found 500 metabolites which its exact mass value is equals to given mass value 234.1454,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Artemisinic
(+)-artemisinic acid is a monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. It has a role as a metabolite. It is a monocarboxylic acid, a carbobicyclic compound, a sesquiterpenoid and a member of octahydronaphthalenes. It is functionally related to a (+)-artemisinic alcohol. It is a conjugate acid of a (+)-artemisinate. Artemisinic acid is a natural product found in Artemisia apiacea, Artemisia annua, and other organisms with data available. A monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Artemisinic acid (Qing Hao acid), an amorphane sesquiterpene isolated from Artemisia annua L., possesses a variety of pharmacological activity, such as antimalarial activity, anti-tumor activity, antipyretic effect, antibacterial activity, allelopathy effect and anti-adipogenesis effect[1]. Artemisinic acid (Qing Hao acid), an amorphane sesquiterpene isolated from Artemisia annua L., possesses a variety of pharmacological activity, such as antimalarial activity, anti-tumor activity, antipyretic effect, antibacterial activity, allelopathy effect and anti-adipogenesis effect[1].
Curcumenol
Curcumenol is a sesquiterpenoid. (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol is a natural product found in Curcuma longa and Curcuma phaeocaulis with data available. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors 4-Epicurcumenol is a constituent of rhizomes of Curcuma zedoaria (zedoary). Curcumenol ((+)-Curcumenol) is a potent CYP3A4 inhibitor with an IC50 of 12.6 μM, which is one of constituents in the plants of medicinally important genus of Curcuma zedoaria, with neuroprotection, anti-inflammatory, anti-tumor and hepatoprotective activities. Curcumenol ((+)-Curcumenol) suppresses Akt-mediated NF-κB activation and p38 MAPK signaling pathway in LPS-stimulated BV-2 microglial cells[1][2]. Curcumenol ((+)-Curcumenol) is a potent CYP3A4 inhibitor with an IC50 of 12.6 μM, which is one of constituents in the plants of medicinally important genus of Curcuma zedoaria, with neuroprotection, anti-inflammatory, anti-tumor and hepatoprotective activities. Curcumenol ((+)-Curcumenol) suppresses Akt-mediated NF-κB activation and p38 MAPK signaling pathway in LPS-stimulated BV-2 microglial cells[1][2].
Polygodial
Polygodial is an aldehyde. Polygodial is a natural product found in Zygogynum pancheri, Zygogynum acsmithii, and other organisms with data available. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents Polygodial (Poligodial) is an antifungal potentiator[1]. Polygodial is a sesquiterpene with anti-hyperalgesic properties[2].
Curcumenone
Curcumenone is found in turmeric. Curcumenone is a constituent of the crude drug zedoary (Curcuma zedoaria). Constituent of the crude drug zedoary (Curcuma zedoaria). Curcumenone is found in turmeric. Curcumenone is a sesquiterpenoid. Bicyclo(4.1.0)heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1S,6R,7R)- is a natural product found in Curcuma aeruginosa, Curcuma aromatica, and other organisms with data available. Curcumenone is a major constituent of the plants of medicinally important genus of Curcuma. Curcumenone, a caraborane type sesquiterpene has been reported to be a vasorelaxant, hepatoprotective and an effective inhibitor of intoxication[1]. Curcumenone is a major constituent of the plants of medicinally important genus of Curcuma. Curcumenone, a caraborane type sesquiterpene has been reported to be a vasorelaxant, hepatoprotective and an effective inhibitor of intoxication[1].
13-Hydroxygermacrone
13-Hydroxygermacrone is a germacrane sesquiterpenoid.
Fukinanolid
Bakkenolide A is a sesquiterpenoid. Bakkenolide A is a natural product found in Camptacra gracilis, Parasenecio hastatus, and other organisms with data available. See also: Petasites hybridus root (part of). Bakkenolide A is a natural product extracted from Petasites tricholobus. Bakkenolide A inhibits leukemia by regulation of HDAC3 and PI3K/Akt-related signaling pathways[1].
Dehydrocurdione
Dehydrocurdione is a germacrane sesquiterpenoid. (6E,10S)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione is a natural product found in Curcuma aromatica, Curcuma longa, and other organisms with data available. Dehydrocurdione is found in turmeric. Dehydrocurdione is from Curcuma zedoaria (zedoary From Curcuma zedoaria (zedoary). Dehydrocurdione is found in turmeric.
LENACIL
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2949 CONFIDENCE standard compound; INTERNAL_ID 2544 CONFIDENCE standard compound; INTERNAL_ID 4047 CONFIDENCE standard compound; INTERNAL_ID 8427
4-Coumaroylputrescine
Alkaloid from Pennisetum americanum (pearl millet), Zea mays (sweet corn), Persea gratissima (avocado) and Lycopersicon esculentum (tomato). 4-Coumaroylputrescine is found in many foods, some of which are garden tomato, cereals and cereal products, fruits, and fats and oils. 4-Coumaroylputrescine is found in cereals and cereal products. 4-Coumaroylputrescine is an alkaloid from Pennisetum americanum (pearl millet), Zea mays (sweet corn), Persea gratissima (avocado) and Lycopersicon esculentum (tomato).
Valerenic acid
Valerenic acid is found in fats and oils. Valerenic acid is a constituent of Valeriana officinalis (valerian) Valerenic acid is a sesquiterpenoid constituent of the essential oil of the Valerian plant Constituent of Valeriana officinalis (valerian) Valerenic acid ((-)-Valerenic Acid), a sesquiterpenoid, is an orally active positive allosteric modulator of GABAA receptors. Valerenic acid is also a partial agonist of the 5-HT5a receptor. Valerenic acid mediates anxiolytic activity via GABAA receptors containing the β3 subunit. Valerenic acid also exhibits potent antioxidant properties[1][2][3].
Germacrone 4,5-epoxide
Germacrone 4,5-epoxide is found in turmeric. Germacrone 4,5-epoxide is a constituent of essential oil of Curcuma zedoaria (zedoary) Constituent of essential oil of Curcuma zedoaria (zedoary). Germacrone 4,5-epoxide is found in turmeric.
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid
(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one
(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one is found in beverages. (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one is a minor constituent of oil of Curcuma zedoaria (zedoary). Minor constituent of oil of Curcuma zedoaria (zedoary). (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one is found in herbs and spices, beverages, and root vegetables. (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one is a sesquiterpenoid.
Isocurcumenol
Isocurcumenol is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary) Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC50 values of 99.1μg/mL and 178.2 μg/mL in DLA and KB cells, respectively[1][2]. Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC50 values of 99.1μg/mL and 178.2 μg/mL in DLA and KB cells, respectively[1][2].
Saussurea lactone
Saussurea lactone is found in herbs and spices. Saussurea lactone is from costus root oil (Saussurea lappa), probably formed by pyrolysis of Dihydrocostunolid From costus root oil (Saussurea lappa), probably formed by pyrolysis of Dihydrocostunolide. Saussurea lactone is found in herbs and spices.
Procurcumenol
Procurcumenol is found in herbs and spices. Procurcumenol is a constituent of the dried rhizomes of Curcuma zedoaria (zedoary) and Curcuma longa (turmeric). Constituent of the dried rhizomes of Curcuma zedoaria (zedoary) and Curcuma longa (turmeric). Procurcumenol is found in turmeric and herbs and spices.
Curcumanolide A
Constituent of the crude drug zedoary (Curcuma zedoaria). Curcumanolide B is from Curcuma zedoaria (zedoary).
Dihydroisoalantolactone
Dihydroisoalantolactone is found in herbs and spices. Dihydroisoalantolactone is isolated from roots of Inula helenium (elecampane Isolated from roots of Inula helenium (elecampane). Dihydroisoalantolactone is found in herbs and spices.
Oxysolavetivone
Intermediate metabolite in the pathway to the phytoalexins of potato. Oxysolavetivone is found in alcoholic beverages and potato. Oxysolavetivone is found in alcoholic beverages. Intermediate metabolite in the pathway to the phytoalexins of potat
(Z)-alpha-Bergamotenoic acid
(Z)-alpha-Bergamotenoic acid is a flavouring ingredient. (Z)-alpha-Bergamotenoic acid is a constituent of East Indian sandalwood oil. Flavouring ingredient. Constituent of East Indian sandalwood oil
Zerumbone oxide
Zerumbone oxide is found in herbs and spices. Zerumbone oxide is a constituent of ginger Zingiber zerumbet. Constituent of ginger Zingiber zerumbet. Zerumbone oxide is found in herbs and spices.
3,7-Bisaboladiene-2,8-dione
3,7-Bisaboladiene-2,8-dione is found in fats and oils. 3,7-Bisaboladiene-2,8-dione is a constituent of Ginkgo biloba (ginkgo). Constituent of Ginkgo biloba (ginkgo). 10,11-Dihydro-6-oxoatlantone is found in ginkgo nuts and fats and oils.
Rishitinol
Phytoalexin of tubers of white potatoes (Solanum tuberosum and Solanum demissum) infected by Phytophthora infestans. Rishitinol is found in alcoholic beverages and potato. Rishitinol is found in alcoholic beverages. Phytoalexin of tubers of white potatoes (Solanum tuberosum and Solanum demissum) infected by Phytophthora infestans.
Cyclodehydroisolubimin
Cyclodehydroisolubimin is found in alcoholic beverages. Cyclodehydroisolubimin is a constituent of potatoes infected with Phytophthora infestans. Constituent of potatoes infected with Phytophthora infestans. Cyclodehydroisolubimin is found in alcoholic beverages and potato.
7-Hydroxycostal
Phytoalexin from Ipomoea batatas (sweet potato). 7-Hydroxycostal is found in sweet potato, root vegetables, and potato. 7-Hydroxycostal is found in potato. Phytoalexin from Ipomoea batatas (sweet potato).
Epiacoronene
4-Acorene-3,8-dione is found in herbs and spices. 4-Acorene-3,8-dione is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). Epiacoronene is found in herbs and spices and root vegetables.
beta-Costic acid
beta-Costic acid is found in burdock. beta-Costic acid is a constituent of the root of costus (Saussurea lappa) Constituent of the root of costus (Saussurea lappa). beta-Costic acid is found in burdock and herbs and spices.
Petasalbin
Constituent of coltsfoot and Petasites japonicus (sweet coltsfoot). Petasalbin is found in tea, giant butterbur, and green vegetables. Petasalbin is found in giant butterbur. Petasalbin is a constituent of coltsfoot and Petasites japonicus (sweet coltsfoot)
beta-Santalic acid
beta-Santalic acid is a flavouring ingredient. beta-Santalic acid is a constituent of Santalum album (sandalwood) oil. Flavouring ingredient. Constituent of Santalum album (sandalwood) oil
2,7(14)-Illudadiene-10,15-diol
2,7(14)-Illudadiene-10,15-diol is found in mushrooms. 2,7(14)-Illudadiene-10,15-diol is a metabolite of Agrocybe aegerita. Metabolite of Agrocybe aegerita. 2,7(14)-Illudadiene-10,15-diol is found in mushrooms.
4,10-Longipinanedione
4,10-Longipinanedione is found in herbs and spices. 4,10-Longipinanedione is a constituent of the flowers of Tanacetum vulgare (tansy) Constituent of the flowers of Tanacetum vulgare (tansy). 4,10-Longipinanedione is found in herbs and spices.
alpha-Rotunol
beta-Rotunol is found in root vegetables. beta-Rotunol is a constituent of tubers of nut grass, Cyperus rotundus Constituent of tubers of nut grass, Cyperus rotundus. beta-Rotunol is found in root vegetables.
4,6-Decadiyn-1-ol isovalerate
4,6-Decadiyn-1-ol isovalerate is found in fats and oils. 4,6-Decadiyn-1-ol isovalerate is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). 4,6-Decadiyn-1-ol isovalerate is found in fats and oils and herbs and spices.
1,10-Epoxygermacrone
1,10-Epoxygermacrone is found in green vegetables. 1,10-Epoxygermacrone is a constituent of the roots of Smyrnium olusatrum (alexanders) Constituent of the roots of Smyrnium olusatrum (alexanders). 1,10-Epoxygermacrone is found in green vegetables.
p-Hydroxynonanophenone
p-Hydroxynonanophenone is found in alcoholic beverages. p-Hydroxynonanophenone is a constituent of Humulus lupulus (hops). Constituent of Humulus lupulus (hops). p-Hydroxynonanophenone is found in alcoholic beverages.
7,9-Illudadiene-3,14-diol
7,9-Illudadiene-3,14-diol is found in mushrooms. 7,9-Illudadiene-3,14-diol is a metabolite of Agrocybe aegerita. Metabolite of Agrocybe aegerita. 7,9-Illudadiene-3,14-diol is found in mushrooms.
9-Pentadecene-12,14-diyne-1,11-diol
9-Pentadecene-12,14-diyne-1,11-diol is found in fruits. 9-Pentadecene-12,14-diyne-1,11-diol is isolated from Solanum melongena (aubergine) calluse Isolated from Solanum melongena (aubergine) calluses. 9-Pentadecene-12,14-diyne-1,11-diol is found in fruits and eggplant.
(4alpha,5alpha)-11-Eremophilene-2,9-dione
(4alpha,5alpha)-11-Eremophilene-2,9-dione is found in citrus. (4alpha,5alpha)-11-Eremophilene-2,9-dione is a constituent of grapefruit (Citrus paradisi) juice Constituent of grapefruit (Citrus paradisi) juice. (4alpha,5alpha)-11-Eremophilene-2,9-dione is found in citrus.
3-Phenylpropyl hexanoate
3-Phenylpropyl hexanoate is a flavouring ingredient. Flavouring ingredient
2-Methyl-4-phenyl-2-butyl 2-methylpropanoate
2-Methyl-4-phenyl-2-butyl 2-methylpropanoate is a flavouring ingredient with a fruit juice flavour. Flavouring ingredient with a fruit juice flavour
4-Methylphenyl octanoate
4-Methylphenyl octanoate is a flavouring ingredient. Flavouring ingredient
7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one
7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one is found in herbs and spices. 7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one is a constituent of the oil of turmeric, Curcuma longa. Constituent of the oil of turmeric, Curcuma longa. 7-(1,3-Cyclohexadienyl)-5-hydroxy-2,6-dimethyl-2-hepten-4-one is found in herbs and spices.
xi-2-Hydroxy-1,3,5-bisabolatrien-9-one
xi-2-Hydroxy-1,3,5-bisabolatrien-9-one is found in herbs and spices. xi-2-Hydroxy-1,3,5-bisabolatrien-9-one is a constituent of Curcuma longa (turmeric). Constituent of Curcuma longa (turmeric). xi-2-Hydroxy-1,3,5-bisabolatrien-9-one is found in herbs and spices.
3,5-Di-tert-butyl-4-hydroxybenzaldehyde
3,5-Di-tert-butyl-4-hydroxybenzaldehyde, also known as BHT-CHO or 4-formyl-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. BHT-CHO is a metabolite of 2,6-di-tert-butyl-4-methylphenol (BHA), a synthetic phenolic antioxidant (SPA). SPAs are a family of chemicals used widely in foods, polymers, and cosmetics as radical trapping agents to slow down degradation due to oxidation. Given their widespread use, human exposure is unavoidable and there is public concern regarding environmental contamination by these chemicals. BHT-CHO was detected in human urine (PMID: 31265952).
Apo-11-zeaxanthinal
Apo-11-zeaxanthinal is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Apo-11-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-11-zeaxanthinal can be found in a number of food items such as pepper (c. annuum), orange bell pepper, italian sweet red pepper, and red bell pepper, which makes apo-11-zeaxanthinal a potential biomarker for the consumption of these food products.
Germacranolide
Germacranolides are a group of sesquiterpene lactones. Germacranolide is found in burdock and dandelion.
Fukinanolide
Fukinanolide is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Fukinanolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fukinanolide can be found in burdock and giant butterbur, which makes fukinanolide a potential biomarker for the consumption of these food products. Bakkenolide A is a natural product extracted from Petasites tricholobus. Bakkenolide A inhibits leukemia by regulation of HDAC3 and PI3K/Akt-related signaling pathways[1].
Octyl benzoate
Octyl benzoate, also known as octyl benzoic acid, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Octyl benzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Octyl benzoate is a balsam and fruity tasting compound found in lemon balm, which makes octyl benzoate a potential biomarker for the consumption of this food product.
Isocurcumenol
Isocurcumenol is a natural product found in Curcuma zedoaria, Curcuma harmandii, and other organisms with data available. Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC50 values of 99.1μg/mL and 178.2 μg/mL in DLA and KB cells, respectively[1][2]. Isocurcumenol, an estrogen receptor alpha (ERα) inhibitor isolated from Curcuma zedoaria Rhizomes, possesses anti-tumor acticity, with IC50 values of 99.1μg/mL and 178.2 μg/mL in DLA and KB cells, respectively[1][2].
alpha-santalenoic acid
A sesquiterpenoid that is (+)-alpha-santalene in which one of the methyl groups attached to the C=C double bond has been oxidised to form the corresponding carboxylic acid.
[2R-(2alpha,8alpha,8aalpha)]-1,2,3,5,6,7,8,8a-Octahydro-8,8a-dimethyl-a-methylene-2-naphthaleneacetic acid
(1R-trans)-1,2,3,4-Tetrahydro-7-hydroxy-6-methyl-4-(1-methylethyl)-1-naphthalenemethanol
Parvinolide
Dihydroallitrisin
11beta,13-Dihydrogeigeranolode
6alpha,7beta-Epoxy-2,9-humuladien-14-al
(3R-trans)-2,3,4,4a,5,6-Hexahydro-3-hydroxy-4a-methyl-7-(1-methylethyl)-1-naphthalenecarboxaldehyde
(E,E)-(-)-10-hydroxy-2,6,10-trimethyl-2,5,7,11-Dodecatetraen-4-one
alpha-Costic acid
Punctaporonin G
(-)-1S,9R-9-Hydroxy-2,2,5,9-tetramethylbicyclo[6.3.0]undeca-4,7-dien-6-one
5H-Cyclopropa[a]naphthalen-5-one, 1,1a,2,3,6,7,7a,7b-octahydro-3-hydroxy-1,1,7,7a-tetramethyl-
(4R,4aR,7R)-4-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
6,6,9a-Trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1(3H)-one #
[3R-(3R*,3aR*,5E,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one
5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one
[3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
[S-[R*,S*-(E)]]-2-Methyl-6-(4-methyl-2-oxo-3-cyclohexen-1-yl)-2-heptenal
3-(5-hydroxy-3-methylpenta-1,3-dienyl)-2,4,4-trimethylcyclohex-2-en-1-one
[S-(R*,S*)]-6-(1,5-Dimethyl-3-oxo-4-hexenyl)-3-methyl-2-cyclohexen-1-one
5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Kanshone A
Kanshone A is a natural product found in Nardostachys jatamansi with data available.
(+)-12-Hydroxy-alpha-cyperone
(E)-(+)-2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-2-butenedial
Chenopodienolone
Nardoguaianone K
Nardoguaianone K is a natural product found in Nardostachys jatamansi with data available.
Isocostic acid
[3R-(3alpha,4abeta,7beta)]-2,3,4,4a,5,6,7,8-Octahydro-3-hydroxy-4a-methyl-7-(1-methylethenyl)-1-naphthalenecarboxaldehyde
Shizukafuranol
4,10-Didehydroxy-7-hydroxydeacetyldihydrobotrydial-1(10),5(9)-diene
[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Cnicothamnal
Crispatanolide
7beta,8beta:8alpha,12-Diepoxy-11(13)-eremophilene
Xanthanene
QING HAU ACID
Artemisinic acid (Qing Hao acid), an amorphane sesquiterpene isolated from Artemisia annua L., possesses a variety of pharmacological activity, such as antimalarial activity, anti-tumor activity, antipyretic effect, antibacterial activity, allelopathy effect and anti-adipogenesis effect[1]. Artemisinic acid (Qing Hao acid), an amorphane sesquiterpene isolated from Artemisia annua L., possesses a variety of pharmacological activity, such as antimalarial activity, anti-tumor activity, antipyretic effect, antibacterial activity, allelopathy effect and anti-adipogenesis effect[1].
Volvalerenic acid A
Dihydroinunolide
5-Hydroxyzerumbone
A sesquiterpenoid that is zerumbone substituted by a hydroxy group at position 5. Isolated from the rhizomes Zingiber zerumbet, it has been found to inhibit lipopolysaccharide-induced nitric oxide production.
(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
(3aalpha,9S)-Decahydro-5,5,8aalpha-trimethyl-1,2beta,4beta-methenoazulene-1alpha-carboxylic acid
(1R,3S,4aR,6R,7aR)-(-)-3-ethenyl-1-methyl-4-methylene-6-(1-methylethyl)-tetrahydrocyclopenta[c]pyran-5(1H,3H,6H)-one|hodgsonox H
10xi-Eremophil-7(11)-en-8,9-dion|10xi-eremophil-7(11)-ene-8,9-dione|Eremophil-7(11)-en-8,9-dion
2-methyl-5-(5-hydroxy-1,5-dimethyl-3-hexenyl)phenol|2-methyl-5-(5-hydroxy-1,5-dimethyl-3-hexenyl)-phenol
1beta-hydroxyeudesma-4,11-dien-15-al|rel-(4R,4aR,7R)-2,3,4,4a,5,6,7,8-octahydro-4-hydroxy-4a-methyl-7-(1-methylethenyl)naphthalene-1-carbaldehyde
(3aR,9S,11aS,E)-5,9-dimethyl-1-methylene-3,3a,7,8,9,10,11,11a-octahydro-1H-cylopenta[10]annulen-2(6H)-one|isodihydrocostunolide
valerenic acid
A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. Valerenic acid ((-)-Valerenic Acid), a sesquiterpenoid, is an orally active positive allosteric modulator of GABAA receptors. Valerenic acid is also a partial agonist of the 5-HT5a receptor. Valerenic acid mediates anxiolytic activity via GABAA receptors containing the β3 subunit. Valerenic acid also exhibits potent antioxidant properties[1][2][3].
(7R,10R)-carota-1,4-dienoic acid|carota-1,4-dienoic acid
1-Hydroxycyclocolorenon|1alpha-hydroxy-(+)-cyclocolorenone|4-aromadendrene-1alpha-ol-3-one
(5R)-2,6,9-humulatrien-5-ol-8-one|5-hydroxy-2E,6E,9E-humulatrien-8-one|5-hydroxyzerumbone
(1beta,7(11)Z)-1-Hydroxy-5,7(11)-eudesmadien-12-al|vernostipulal A
2beta-hydroxy-10alpha-cadina-6(7),11(12)-dien-3-one|ligusongaricone
(-)-cucumin H|(1S,3S,8S)-3-hydroxy-1,4,4,8-tetramethyltricyclo[6.3.0.0(2,6)]undec-2(6)-en-7-one
(-)-4-hydroxymethyl-2-(1,2,2-trimethylcyclopentyl)phenol|(-)-Herbertene-1,12-diol|(-)-herbertene-1,2-diol|4-hydroxymethyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
11-Hydroxy-6,9-eremophiladien-8-one|11-hydroxyeremophil-6,9-dien-8-one
(8R)-6,7,8,8a,-tetrahydro-5-(2-hydroxy-1-methylethyl)-3,8-dimethyl-1H-azulen-2-one
Delta9(12)-Capnellen-10alpha-ol-8-on|Delta9(12)-capnellene-10alpha-ol-8-one
erectathiol|[(6R,9S)-6-isopropyl-9-methyl-6,7,8,9-tetrahydronaphthalen-3-yl]methanethiol
(-)-10-oxo-isodauc-3-en-15-al|(-)-2-oxoisodauc-5-en-12-al|10-Ketone-10-Hyddroxy-6-isodaucen-14-al|10-oxo-isodauc-3-en-15-al
(2E,6Z,10E)-6-(hydroxymethyl)-2,9,9-trimethylcycloundeca-2,6,10-trien-1-one|(2E,6Z,10E)-6-hydroxymethyl-2,9,9-trimethylcycloundeca-2,6,10-trienone|15-hydroxyhumula-1(10)E,4Z,7E-trien-9-one
1,10:7,10-Diepoxy-2,11-bisaboladiene|Bisabola-2,11-dien-10-one inner 1,7-acetal
Decahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
(-)-dehydrocarissone|11-hydroxy-4-eudesmadien-3-one|dehydrocarissone
2-methyl-5-(4-hydroxy-1,5-dimethyl-5-hexenyl)-phenol
6beta,10-dihydroxy-11-methyl-7-methylenebicyclo[9,1,0]dodec-2(E)-ene-3-carbaldehyde|madolin Z
(5S,6S,9S,10S)-15-hydroxycadina-3,11-dien-2-one|15-Hydroxy-4,11-muuroladien-3-one
3E,6E,10E-humulatrien-1alpha-ol-5-one|mitissimol A
cosmosaldehyde|rel-(4aR,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-4a-methyl-5-oxo-8-(1-methylethyl)naphthalene-2-carboxaldehyde
(4R,5S,6R,7R,11S)-12-hydroxy-1(10)-aromadendren-2-one
E-2-methyl,3-(5,9-dimethylbicyclo[4.3.0]non-1(9)-en-3-yl)-2-propenoic acid|nardin
(4??, 5??, 6??H,7??H, 10??)-form-5-Hydroxy-1-aromadendren-3-one|5-hydroxyaromadendr-1-en-3-one
(+/-)-(2Z,4E)-gamma-ionylideneacetic acid|(2Z,4E)-gamma-ionylideneacetic acid
7-Isopropyl-4-methyl-4,5,6,7,8,8a-hexahydro-azulen-1-carbonsaeure|7-isopropyl-4-methyl-4,5,6,7,8,8a-hexahydro-azulene-1-carboxylic acid|8-Methyl-5-isopropyl-3a,4,5,6,7,8-hexahydroazulencarbonsaeure-(3), Jatamansisaeure|jatamansic acid
(1R*,6R*,8R*)-2-dimethyltricyclo[6.3.1.01,6]dodec-9-ene-9-carboxylic acid|sclerocarpic acid
3-ethoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one|N-Hydroxyethyl-cytisin
1-(1,5-dimethoxy-1h-indol-3-yl)-n,n-dimethylmethanamine
12-(3-Hydroxyethyl)-cytisine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052
N-(2-Hydroxyethyl)cytisin
Origin: Plant; Formula(Parent): C13H18N2O2; Bottle Name:12-(3-hydroxyethyl)cytisine; PRIME Parent Name:12-(3-hydroxyethyl)cytisine; PRIME in-house No.:V0330; SubCategory_DNP: Alkaloids derived from lysine, More complex lysine-derived alkaloids, Cytisine alkaloids
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]-
3,4-DIHYDRO-3-[(4-MORPHOLINYL)METHYL]-2H-1,4-BENZOXAZINE
3-AMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
[(2R)-4,4-diethoxy-2-(hydroxymethyl)butyl] acetate
(R)-BENZYL 3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE
3-AMINO-3-[4-(PYRROLIDIN-1-YL)-PHENYL]-PROPIONIC ACID
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
tert-butyl 7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
2-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
TERT-BUTYL 3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
PIPERIDINE-4-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE
PIPERIDINE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE
5-Amino-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester
2-(2-methoxyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANOL
2-(DIMETHYLAMINO)-1-(6-METHOXYINDOLIN-1-YL)ETHANONE
2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzenediamine
1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-[(4-methylphenoxy)acetyl]piperazine hydrochloride
ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoate
(3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
1-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)METHYL)PIPERAZINE
N-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE
1-HYDROXY-2,2,5,5-TETRAMETHYL-4-PHENYL-3-IMIDAZOLINE-3-OXIDE
TERT-BUTYL 3,4-DIHYDRO-1,8-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
(S)-Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate
3-Amino-5-[(p-hydroxyphenyl) methyl]-4,4-dimethyl-2-pyrrolidinone
[(2S)-3-carboxy-2-(3-hydroxypropanoyloxy)propyl]-trimethylazanium
3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone
N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
(3R,4R)-1-(5-aminopentylamino)-3,4,5-trihydroxypentan-2-one
p-Coumaroylputrescine
A natural product found in Buxus natalensis and Nicotiana tabacum.
N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide
3-Amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one
[(5,7-dimethoxy-1h-indol-3-yl)methyl]dimethylamine
11-ethoxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one
3,4,5,6-tetramethyl phenanthrene
{"Ingredient_id": "HBIN007246","Ingredient_name": "3,4,5,6-tetramethyl phenanthrene","Alias": "NA","Ingredient_formula": "C18H18","Ingredient_Smile": "CC1=C(C2=C(C=C1)C=CC3=C2C(=C(C=C3)C)C)C","Ingredient_weight": "234.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8340","PubChem_id": "23769","DrugBank_id": "NA"}
5-methoxy-n,n-dimethyl-tryptamine nb-oxide
{"Ingredient_id": "HBIN011772","Ingredient_name": "5-methoxy-n,n-dimethyl-tryptamine nb-oxide","Alias": "2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide; 5-methoxy-n,n-dimethyl-tryptaminenb-oxide; AC1NSY2J; SCHEMBL5041561; 5-methoxy-n,n-dimethyltryptamine-n-oxide","Ingredient_formula": "C13H18N2O2","Ingredient_Smile": "C[N+](C)(CCC1=CNC2=C1C=C(C=C2)OC)[O-]","Ingredient_weight": "234.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT19341","TCMID_id": "31537;13913","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5319429","DrugBank_id": "NA"}
