Exact Mass: 236.1889
Exact Mass Matches: 236.1889
Found 500 metabolites which its exact mass value is equals to given mass value 236.1889,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Curdione
Curdione is a germacrane sesquiterpenoid. Germacr-1(10)-ene-5,8-dione is a natural product found in Curcuma aromatica, Curcuma wenyujin, and other organisms with data available. Curdione is found in turmeric. Curdione is a constituent of Curcuma zedoaria (zedoary) Constituent of Curcuma zedoaria (zedoary). Curdione is found in turmeric. Curdione, one of the major sesquiterpene compounds from Curcuma zedoaria, has been shown to exhibit multiple bioactive properties. IC50 value: 60–80 μM Target: In vitro: The study of the influence of curdione on the hemorheological changes in blood stasis model rats and thrombolysis in vitro showed that curdione only possessed thrombolytic effect in dose of 0.235 g·L-1 and 2.35 g·L-1, but has not the notable activity of thrombolysis [1]. The effects of curdione on human platelet aggregation induced by thrombin (0.3 U/ml) were tested in vitro. Curdione preferentially inhibited PAF- and thrombin- induced platelet aggregation in a concentration-dependent manner (IC50: 60–80 μM), whereas much higher concentrations of curdione were required to inhibit platelet aggregation induced by ADP and AA. Curdione also inhibited P-selectin expression in PAF-activated platelets. Moreover, curdione caused an increase in cAMP levels and attenuated intracellular Ca2+ mobilization in PAF-activated platelets. In vivo: Curdione showed significant antithrombotic activity [2]. Curdione, one of the major sesquiterpene compounds from Curcuma zedoaria, has been shown to exhibit multiple bioactive properties. IC50 value: 60–80 μM Target: In vitro: The study of the influence of curdione on the hemorheological changes in blood stasis model rats and thrombolysis in vitro showed that curdione only possessed thrombolytic effect in dose of 0.235 g·L-1 and 2.35 g·L-1, but has not the notable activity of thrombolysis [1]. The effects of curdione on human platelet aggregation induced by thrombin (0.3 U/ml) were tested in vitro. Curdione preferentially inhibited PAF- and thrombin- induced platelet aggregation in a concentration-dependent manner (IC50: 60–80 μM), whereas much higher concentrations of curdione were required to inhibit platelet aggregation induced by ADP and AA. Curdione also inhibited P-selectin expression in PAF-activated platelets. Moreover, curdione caused an increase in cAMP levels and attenuated intracellular Ca2+ mobilization in PAF-activated platelets. In vivo: Curdione showed significant antithrombotic activity [2].
Dihydroartemisinic
Dihydroartemisinic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. It has a role as a plant metabolite. It is a carbobicyclic compound, a monocarboxylic acid, a member of octahydronaphthalenes and a sesquiterpenoid. It is a conjugate acid of a dihydroartemisinate. Dihydroartemisinic acid is a natural product found in Artemisia apiacea, Artemisia annua, and Artemisia carvifolia with data available. A monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Dihydroartemisinic acid (Dihydroqinghao acid) is a biosynthetic precursor to the antimalarial agent Artemisinin[1]. Dihydroartemisinic acid (Dihydroqinghao acid) is a biosynthetic precursor to the antimalarial agent Artemisinin[1].
Capsidiol
Capsidiol is a phytoalexin, a natural fungicide present in pepper. (PMID: 10335386). Capsidiol shows bacteriostatic properties in vitro against Helicobacter pylori with a minimum inhibitory concentration (MIC) of 200 microg/mL. (PMID: 17002415). Capsidiol is a bicyclic, dihydroxylated sesquiterpene produced by several solanaceous species in response to a variety of environmental stimuli. It is the primary antimicrobial compound produced by Nicotiana tabacum in response to fungal elicitation, and it is formed via the isoprenoid pathway from 5-epi-aristolochene. (PMID: 11556809). Phytoalexin of infected sweet pepper fruits (Capsicum annuum)
Hernandulcin
Hernandulcin is a constituent of Lippia dulcis leaves and flowers. Natural sweetener more than 1000 times sweeter than sucrose Hernandulcin is a sesquiterpene with the molecular formula C15H24O2. By slightly modifying the compound, researchers have identified the two chemical groups which caused the sweet taste - the carbonyl group, and the hydroxyl group. The structure of hernandulcin is very simple, and after a panel of volunteers tasted hernandulcin, it was determined that it was 1,000 times sweeter than sugar. Hernandulcin also has a bitter aftertaste, and does not cause tooth decay, which would make it a good candidate for a mouthwash. Hernandulcin is an intensely sweet chemical compound gained from the chiefly Mexican and South American plant Lippia dulcis. Constituent of Lippia dulcis leaves and flowers. Natural sweetener more than 1000 times sweeter than sucrose
Epilubimin
Stress product from potato tubers. Lubimin is found in eggplant and potato. Lubimin is found in eggplant. Stress product from potato tuber
farnesoic acid
A methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions.
Cyperolone
Cyperolone is found in root vegetables. Cyperolone is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). Cyperolone is found in root vegetables.
(4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal
A sesquiterpenoid that is (4Z,8Z)-4,8-dimethyltrideca-4,8-diene carrying two oxo substituents at positions 1 and 12. A product from bacterial degradation of rubber.
2,6-Di-tert-butyl-4-hydroxymethylphenol
2,6-Di-tert-butyl-4-hydroxymethylphenol, also known as BHT-OH, 3,5-di-tert-butyl-4-hydroxy-benzyl alcohol, or 4-hydroxymethyl-2,6-di-tert-butylphenol, belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. BHT-OH is an extremely weak basic (essentially neutral) compound (based on its pKa). BHT-OH 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-OH was detected in human urine (PMID: 31265952). Antioxidant used in foods.
Curcumol
Curcumol is found in turmeric. Curcumol is a constituent of Curcuma zedoaria (zedoary) Curcumol ((-)-Curcumol), a bioactive sesquiterpenoid, possesses numerous pharmacological activities like anticancer, antimicrobial, antifungal, antiviral, and antiinflammatory. Curcumol is a potent inducer of apoptosis in numerous cancer cells via targeting key signaling pathways as MAPK/ERK, PI3K/Akt and NF-κB which are generally deregulated in several cancers[1]. Curcumol ((-)-Curcumol), a bioactive sesquiterpenoid, possesses numerous pharmacological activities like anticancer, antimicrobial, antifungal, antiviral, and antiinflammatory. Curcumol is a potent inducer of apoptosis in numerous cancer cells via targeting key signaling pathways as MAPK/ERK, PI3K/Akt and NF-κB which are generally deregulated in several cancers[1].
Rishitinone
Rishitinone is found in alcoholic beverages. Rishitinone is a constituent of diseased potato tubers Constituent of diseased potato tubers. Rishitinone is found in alcoholic beverages and potato.
Aubergenone
Aubergenone is found in eggplant. Aubergenone is found in diseased eggplant (Solanum melongena) and from the stem bark of Mangifera indica (mango Found in diseased eggplant (Solanum melongena) and from the stem bark of Mangifera indica (mango)
7-Hydroxycostol
Phytoalexin from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. 7-Hydroxycostol is found in sweet potato, root vegetables, and potato. 7-Hydroxycostol is found in potato. Phytoalexin from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriat
3-Hydroxy-1,10-bisaboladien-9-one
3-Hydroxy-1,10-bisaboladien-9-one is found in herbs and spices. 3-Hydroxy-1,10-bisaboladien-9-one is a constituent of Curcuma longa (turmeric) Constituent of Curcuma longa (turmeric). 3-Hydroxy-1,10-bisaboladien-9-one is found in herbs and spices.
(3xi,7(11)Z)-7(11)-Copaene-4,12-diol
(3xi,7(11)Z)-7(11)-Copaene-4,12-diol is found in herbs and spices. (3xi,7(11)Z)-7(11)-Copaene-4,12-diol is a constituent of Ocimum americanum (wild basil). Constituent of Ocimum americanum (wild basil). (3xi,7(11)Z)-7(11)-Copaene-4,12-diol is found in herbs and spices.
Geranyl tiglate
Geranyl tiglate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Isolubimin
Epiisolubimin is found in alcoholic beverages. Epiisolubimin is isolated from infected potatoe Isolated from infected potatoes. Epiisolubimin is found in alcoholic beverages and potato.
Acorusnol
Constituent of Acorus calamus (sweet flag). Acorusnol is found in herbs and spices and root vegetables. Acorusnol is found in herbs and spices. Acorusnol is a constituent of Acorus calamus (sweet flag)
10alpha-4,5-Seco-11-eudesmene-4,5-dione
Constituent of Cyperus rotundus (nutgrass). 10alpha-4,5-Seco-11-eudesmene-4,5-dione is found in root vegetables. Azoridione is found in root vegetables. Azoridione is a constituent of Cyperus rotundus (nutgrass)
Apotrichothecene
Apotrichothecene is a mycotoxin of Fusarium culmorum. Mycotoxin of Fusarium culmorum
Epiacorone
Constituent of Acorus calamus (sweet flag). Epiacorone is found in herbs and spices and root vegetables. Acorone is found in herbs and spices. Acorone is a constituent of Acorus calamus (sweet flag).
(-)-Myrtenyl isovalerate
Isolated from oil of Valeriana officinalis (valerian). (-)-Myrtenyl isovalerate is found in tea, fats and oils, and herbs and spices. (-)-Myrtenyl isovalerate is found in fats and oils. (-)-Myrtenyl isovalerate is isolated from oil of Valeriana officinalis (valerian
Calamensesquiterpinenol
Calamensesquiterpinenol is found in herbs and spices. Calamensesquiterpinenol is a constituent of the roots of Acorus calamus (sweet flag). Constituent of the roots of Acorus calamus (sweet flag). Calamensesquiterpinenol is found in herbs and spices and root vegetables.
Petasitolone
Constituent of Petasites japonicus (sweet coltsfoot). Petasitolone is found in burdock, giant butterbur, and green vegetables. Petasitolone is found in burdock. Petasitolone is a constituent of Petasites japonicus (sweet coltsfoot).
Humulene diepoxide A
Humulene diepoxide A is found in alcoholic beverages. Humulene diepoxide A is a constituent of hops, Zingiber zerumbet (wild ginger). Constituent of hops, Zingiber zerumbet (wild ginger). Humulene diepoxide A is found in alcoholic beverages and herbs and spices.
2-Hydroxyacorenone
2-Hydroxyacorenone is found in herbs and spices. 2-Hydroxyacorenone is a constituent of Acorus calamus (sweet flag)
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one is found in potato. (2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one is a stress metabolite of Ipomoea batatas (sweet potato Stress metabolite of Ipomoea batatas (sweet potato). (2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one is found in root vegetables and potato.
Tuberonone
Tuberonone is found in alcoholic beverages. Tuberonone is a constituent of Solanum tuberosum (potato). Constituent of Solanum tuberosum (potato). Tuberonone is found in alcoholic beverages and potato.
Tanavulgarol
Tanavulgarol is found in herbs and spices. Tanavulgarol is a constituent of Tanacetum vulgare (tansy). Constituent of Tanacetum vulgare (tansy). Tanavulgarol is found in herbs and spices.
(4S)-Dihydrocurcumenone
(4S)-Dihydrocurcumenone is a constituent of zedoary (Curcuma zedoaria). Constituent of zedoary (Curcuma zedoaria).
4alpha,5alpha-Epoxy-11-eudesmen-3a-ol
4alpha,5alpha-Epoxy-11-eudesmen-3a-ol is found in root vegetables. 4alpha,5alpha-Epoxy-11-eudesmen-3a-ol is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). 4alpha,5alpha-Epoxy-11-eudesmen-3a-ol is found in root vegetables.
beta-Kessyl ketone
beta-Kessyl ketone is found in fats and oils. beta-Kessyl ketone is a constituent of Valeriana officinalis (valerian).
Humulene-8-hydroperoxide
Humulene-8-hydroperoxide is a constituent of Curcuma zedoaria (zedoxy). Constituent of Curcuma zedoaria (zedoxy)
beta-Ionyl acetate
beta-Ionyl acetate is a flavouring agent. Flavouring agent
Dihydro-alpha-santalic acid
Dihydro-alpha-santalic acid is a constituent of East Indian sandalwood oil.
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone
2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone, also known as BHT-quinol, belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. BHT-quinol 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-quinol was detected in human urine (PMID: 31265952).
4-Hydroxybisabola-2,10-dien-9-one
4-hydroxybisabola-2,10-dien-9-one is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 4-hydroxybisabola-2,10-dien-9-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-hydroxybisabola-2,10-dien-9-one can be found in turmeric, which makes 4-hydroxybisabola-2,10-dien-9-one a potential biomarker for the consumption of this food product.
Hydroxycaryophyllene
Hydroxycaryophyllene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Hydroxycaryophyllene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Hydroxycaryophyllene can be found in fig, which makes hydroxycaryophyllene a potential biomarker for the consumption of this food product.
Dihydrocapsenone
Dihydrocapsenone is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Dihydrocapsenone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocapsenone can be found in a number of food items such as italian sweet red pepper, red bell pepper, orange bell pepper, and pepper (c. annuum), which makes dihydrocapsenone a potential biomarker for the consumption of these food products.
Curdione
Curdione is a germacrane sesquiterpenoid. Germacr-1(10)-ene-5,8-dione is a natural product found in Curcuma aromatica, Curcuma wenyujin, and other organisms with data available. (3R,6E,10S)-6,10-Dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione is a natural product found in Curcuma aromatica and Curcuma wenyujin with data available. Curdione, one of the major sesquiterpene compounds from Curcuma zedoaria, has been shown to exhibit multiple bioactive properties. IC50 value: 60–80 μM Target: In vitro: The study of the influence of curdione on the hemorheological changes in blood stasis model rats and thrombolysis in vitro showed that curdione only possessed thrombolytic effect in dose of 0.235 g·L-1 and 2.35 g·L-1, but has not the notable activity of thrombolysis [1]. The effects of curdione on human platelet aggregation induced by thrombin (0.3 U/ml) were tested in vitro. Curdione preferentially inhibited PAF- and thrombin- induced platelet aggregation in a concentration-dependent manner (IC50: 60–80 μM), whereas much higher concentrations of curdione were required to inhibit platelet aggregation induced by ADP and AA. Curdione also inhibited P-selectin expression in PAF-activated platelets. Moreover, curdione caused an increase in cAMP levels and attenuated intracellular Ca2+ mobilization in PAF-activated platelets. In vivo: Curdione showed significant antithrombotic activity [2]. Curdione, one of the major sesquiterpene compounds from Curcuma zedoaria, has been shown to exhibit multiple bioactive properties. IC50 value: 60–80 μM Target: In vitro: The study of the influence of curdione on the hemorheological changes in blood stasis model rats and thrombolysis in vitro showed that curdione only possessed thrombolytic effect in dose of 0.235 g·L-1 and 2.35 g·L-1, but has not the notable activity of thrombolysis [1]. The effects of curdione on human platelet aggregation induced by thrombin (0.3 U/ml) were tested in vitro. Curdione preferentially inhibited PAF- and thrombin- induced platelet aggregation in a concentration-dependent manner (IC50: 60–80 μM), whereas much higher concentrations of curdione were required to inhibit platelet aggregation induced by ADP and AA. Curdione also inhibited P-selectin expression in PAF-activated platelets. Moreover, curdione caused an increase in cAMP levels and attenuated intracellular Ca2+ mobilization in PAF-activated platelets. In vivo: Curdione showed significant antithrombotic activity [2].
Curcumol
Curcumol is a sesquiterpenoid. Curcumol is a natural product found in Curcuma aromatica, Curcuma wenyujin, and Cunninghamella blakesleeana with data available. Constituent of Curcuma zedoaria (zedoary). Curcumol is found in turmeric. Curcumol ((-)-Curcumol), a bioactive sesquiterpenoid, possesses numerous pharmacological activities like anticancer, antimicrobial, antifungal, antiviral, and antiinflammatory. Curcumol is a potent inducer of apoptosis in numerous cancer cells via targeting key signaling pathways as MAPK/ERK, PI3K/Akt and NF-κB which are generally deregulated in several cancers[1]. Curcumol ((-)-Curcumol), a bioactive sesquiterpenoid, possesses numerous pharmacological activities like anticancer, antimicrobial, antifungal, antiviral, and antiinflammatory. Curcumol is a potent inducer of apoptosis in numerous cancer cells via targeting key signaling pathways as MAPK/ERK, PI3K/Akt and NF-κB which are generally deregulated in several cancers[1].
12,12-Dimethyl-9-methylene-5-Oxatricyclo[8.2.0.04,6]dodecane-4-methanol
7alpha-hydroxyneoacolamone
Anthroplalone
[1aR-(1aalpha,3abeta,6beta,8abeta,8balpha)]-Octahydro-3a,7,7,8b-tetramethyl-2H-6,8a-methanooxireno[i][1]benzoxepin
[1R-(1R*,4R*,6R*,10S*,12R*)]-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane-12-methanol
2,3-Epoxy-2,3-dihydro-1-bisabolone
1,4,4a,5,6,7,7a,7b-Octahydro-3,6,7b-trimethyl-4-hydroxy-6-(hydroxymethyl)-2H-cyclobuta[e]indene
[4R-[4alpha,6alpha(S*)]]-6-(1,5-Dimethyl-4-hexenyl)-4-hydroxy-3-methyl-2-cyclohexen-1-one
cis-6-Ethenyldihydro-2,6-dimethyl-2-(4-methyl-3-pentenyl)-2H-pyran-3(4H)-one
Dihydrocapsenone
Isocorymbolone
Isopterocarpolone
4-Hydroxy-2-oxovalencene
1alpha,10beta-Epoxy-alpha-humulen-14-ol
6-(1,5-Dimethyl-4-hexenyl)-6-hydroxy-3-methyl-2-cyclohexen-1-one
2-Methyl-4-hydroxy-5-(1-methylene-5-methyl-4-hexenyl)cyclohexanone
Periplocadiol
[3S-(3alpha,4aalpha,5alpha,6beta,8aalpha)]-Octahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-1(2H)-naphthalenone
Dihydroartemisinic acid
Dihydroartemisinic acid (Dihydroqinghao acid) is a biosynthetic precursor to the antimalarial agent Artemisinin[1]. Dihydroartemisinic acid (Dihydroqinghao acid) is a biosynthetic precursor to the antimalarial agent Artemisinin[1].
(E,E)-10-hydroxy-2,6,10-trimethyl-2,6,11-Dodecatrienal
[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
6-(1,5-Dimethyl-4-hexenyl)-3-(hydroxymethyl)-2-cyclohexen-1-one
Cnicothamnol
Corymbolone
A natural product found in Cyperus corymbosus and Cyperus articulatus.
[1aS-(1aalpha,3aalpha,6alpha,8aalpha,8balpha)]-Octahydro-3a,7,7,8b-tetramethyl-2H-6,8a-methanooxireno[i][1]benzoxepin
Cycloprop[e]indene-1a,2(1H)-dimethanol, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1a.alpha.,3a.beta.,6a.beta.,6b.alpha.)-(-)-
hexahydro-3a,5,5-trimethyl-6-(3-oxobutyl)-1(2h)-pentalenone
15alpha-hydroperoxy-guaia-1(10),11-diene|15??-Hydroperoxy-guaia-1(10),11-diene
Latia luciferin
An apo carotenoid sesquiterpenoid that consists of a cylohexene ring substituted by methyl groups at positions 2, 6 and 6 and a (1E)-1-(formyloxy)-2-methylbut-1-en-4-yl group at position 2.
2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-one
pubinernoid B|rel-(1R,3aS,4S,7S)-4,7-epoxy-1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethyl)azulen-1-ol
5,6-Azulenedimethanol, 1,2,3,3a,8,8a-hexahydro-2,2,8-trimethyl-, (3a.alpha.,8.beta.,8a.alpha.)-
(+)-6-ethenyl-2-hydroxy-6,10-dimethylundeca-2,9-dien-4-one|melicopenol
14-Hydroxycaryophyllene oxide
2,2,4-trimethyl-3-(3-hydroxy-3-methylpent-4-enyl)cyclohex-3-enone
2beta,4beta-dihydroxyl-1alpha-H-guai-5,10(14)-diene|liguducin A
(1alpha,4beta,10beta)-14(10-1)Abeo-10-hydroxy-11-eudesmen-3-one
(E)-10-hydroxy-2,6,10-trimethyl-dodeca-2,5,11-trien-4-one|3,7,11-Trimethyldodeca-1,7,10-trien-3-ol-9-one
capnellene-8beta,10alpha-diol|Delta9(12)-Capnellen-8beta,10alpha-diol|Delta9(12)-capnellene-8beta-10alpha-diol
(+)-orientalol F|6beta-hydroxy-7alpha,10alpha-epoxyguaiane-4(5)-ene|orientalol F
(2R*,6S*)-2,6-dihydroxyhumla-9(E)-3(12),7(13),9-triene|(2R*,6S*)-2,6-dihydroxyhumlaobtusa|3(12),7(13),9(E)-humulatriene-2,6-diol
(1S,5R,10S)-1,5,8,8-Tetramethylbicyclo[8.1.0]undecane-2,6-dione
7-(3-Hydroperoxy-4-methylpent-4-enyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
(1alpha,5beta,10alpha)-3,11-Eudesmadiene-1,14-diol|1alpha,14-dihydroxy-5,10-bis-epi-eudesma-3,11(13)-diene
14(10-1)-Abeo-1,10-seco-11-eudesmene-l,10-dione|rel-(5R,7R)-10-desmethyl-1-methyl-1,10-dioxo-1,10-seco-11-eudesmene
(5S*,7S*)-taylofuran|4-(2,2,6-trimethyl-1-oxaspiro[4.4]non-6-en-3-yl)-butan-2-one
2-Hydroxy-4,4,8-trimethyltricyclo[6.3.1.0(1,5)]dodecan-9-one
(4alpha,4alpha,6alpha)-form-Hydroxy-5-lippiflianone
3,4-Didehydro-15-Hydroxydihydro-beta-agarofuran|Dehydrobaimuxinol
3beta-hydroxymethyl-2alpha-methyl-4alpha-(5-methyl-1-methylenehex-4-enyl)-cyclopentanone|isolitseane A
4,8a-Dimethyl-6-(1-hydroxy-1-methylethyl)-4a,5,6,7,8,8a-hexahydronaphthalene-2(1H)-one
1alpha-hydroperoxy-guaia-10(15),11-diene|1??-Hydroperoxy-guaia-10(15),11-diene
1beta,4beta-Dimethyl-7beta-(2-hydroxypropyl-(2))-3-oxo-Delta3a,8a-octahydroazulen|1beta,4beta-Dimethyl-7beta-<2-hydroxypropyl-(2)>-3-oxo-Delta3a,8a-octahydroazulen|2-oxo 1(5)-dehydroguaioxyde|Pancherione
(1E,6R,8E)-4,5-epoxy-6-hydroxy-4,8,11,11-tetramethylcycloundeca-1,8-diene
(+)-thujopsenol-alpha-epoxide|(1alpha,2alpha,3alpha)-1,2-Epoxy-3-thujopsanol|9alpha,10-epoxy-8alpha-thujopsanol
(1R,1aR,1bS,4R,5R,5aS,6aR)-decahydro-5a-methyl-1-(1-methylethyl)-2-methylidenecyclopropa[a]indene-4,5-diol|(1R,2R)-dihydroxycycloax-4(15)-ene|(1S,3R,4R,5R,6S,9R,10R)-9,10-dihydroxy-1-methyl-4-(1-methylethyl)-7-methylidenetricyclo[4.4.0.0(3.5)]decane
(1R*,6R*,8aR*)-1,2,3,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-4-methyl-6-(1-methylethenyl)naphthalen-1-ol|eudesma-4,11-diene-1beta,15-diol
(1aR*,2S*,4aR*,7S*,7aS*,7bR*)-1,1,7-trimethyldecahydrospiro-[cyclopropa[e]azulene-4,2-oxiran]-7-ol|hiiranepoxide
11-hydroxy-2, 4-cycloeudesman-8-one|11-hydroxy-2,4-cycloeudesman-8-one
3,4,5,5-tetramethyl-4-(3-oxopentyl)-2-cyclohexen-1-one
(4R,6R,10S)-4,10-dimethyl-6-(1-hydroxyisopropyl)-1-en-3,4,5,6,7,8-hexahydronaphthalen-2-one|11-hydroxy-valenc-1(10)-en-2-one|11-hydroxyvalenc-1(10)-en-2-one|2-oxo-11-hydroxy-4alpha,5alpha,7beta-eremophil-1(10)-ene|2-Oxo-kusunol
6-Isopropenyl-4,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol
(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one|flamvelutpenoid C
cordycepol A|rel-(4aR,7R,7aR,10R,10aS)-2,4a,6,7,7a,8,9,10-octahydro-3,7,10-trimethyl-1H-benzo[b]cyclopenta[c]pyran-7-ol
4-Methylene-3-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]cyclohexanol
rel-(3S,6R,7S,9E)-3,7,11-trimethyl-3,6-epoxy-1,9,11-dodecatrien-7-ol
1alpha,6beta-dimethyl-5beta-hydroxy-4beta-(prop-1-en-2-yl)-decahydronaphthalen-2-one
(2beta,4abeta,8beta,8abeta)-decahydro-4a-hydroxy-8,8a-dimethyl-alpha-methylenenaphthalene-2-autaldehyde|2-[(2beta,4abeta,8beta,8abeta)-decahydro-4a-hydroxy-8,8a-dimethylnaphthalen-2-yl]prop-2-enal
3-(4-Methyl-3-pentenyl)-7-methyl-2,6-octadienoic acid
4beta,9beta-dihydroxy-1alpha,5alpha-H-guaia-6,10(14)-dien
(?)-(1S*,4S*,9S*)-1,9-epoxybisabola-2,10-diene-4-ol
(1abeta,2beta,3beta,4abeta,5beta,8abeta)-octahydro-4a,5-dimethyl-3-(1-methylethenyl)-3H-naphtho[1,8a-b]oxiren-2-ol
2,10,10-trimethyl-6-methylene-2,8-cycloundecadiene-15-diol
2-Methyl-3-hydroperoxy-6-(4-methyl-3-cyclohexenyl)-1,6-heptadiene
rel-(1R,2S,4R,4aS,8aR)-3,4,4a,5,6,8a-hexahydro-4-hydroxy-2,4-dimethylspiro-[cyclopropane-1,1(2H)-naphthalene]-7-methanol;|thotteodiol
(2R,3S)-3-methyl-2-(5-oxo-2-isopropenylhexyl)cyclopentanone
11-hydroxy-4-amorphen-15-al|15-Aledhyde-4-Amorphene-11,15-diol|15-oxofabiaimbricatan
ent-4(14)-eudesmen-11-ol-1-one|ent-4(15)-eudesmen-11-ol-1-one
10(14)-aromadendrene-4beta,15-diol|15-hydroxyspathulenol
10alpha-hydroperoxy-guaia-1,11-diene|10??-Hydroperoxy-guaia-1,11-diene
6alpha-hydroxy-8(10)-oplopen-14-one|6alpha-hydroxyanhydrooplopanone
2beta,8beta-dihydroxy-7(14),11-isodaucadiene|7(14),11-Isodaucadiene-2,8-diol
1alpha,14-dihydroxy-5,10-bisepieudesma-4(15),11(13)-diene
(1alpha,4alpha,5beta,10alpha)-4,14-Epoxy-11-eudesmen-1-ol|4alpha,14-epoxy-1alpha-hydroxy-5,10-bis-epi-eudesma-11(13)-ene
5alpha,8alpha-epidioxy-6-eudesmene|eudesm-6-ene-5alpha,8beta-endoepoxide
(1S*,6R*,7R*,10R*)-7-hydroxycadin-4-en-3-one|(7??, 10??)-form-7-Hydroxy-4-amorphen-3-one
tsangane B (6alpha-hydroxyallohimachal-2-en-4-one)
(-)-(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one|(6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one|valeriananoid A
(2S,3R,7S)-[2,3:7,13]-diepoxy-trans-himachalane|2alpha,3alpha:7beta,13beta-diepoxy-trans-himachalane|beta-himachalene
4,5-seco-african-4,5-dione|8,9-secoafricanane-8,9-dione
(1E,4E,6R,9S)-4,11,11-trimethyl-8-methylene-1,4-cycloundecadiene-6,9-diol
6beta-hydroxy-(7alphaH)-eudesm-4-en-3-one|6beta-hydroxy-7alpha(H)-eudesm-4-en-3-one
4a-Hydroxy-6-isopropenyl-4,8a-dimethyloctahydro-1(2H)-naphthalenone #
(4alpha,5alpha,8beta)-8-Hydroxy-11-eremophilen-2-one|8beta-Hydroxy-4betaH,10betaH-5alpha-eremophil-11-en-2-on (Tsuwabukinonol)
1alpha,10alpha-Epoxide-1(10),4(15)-Lepidozadien-5-ol
2-Hepten-4-one, 6-hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-
15-hydroxy-6alpha,12-epoxy-7beta,10alphaH,11betaH-spiroax-4-ene
(2E,6E)-3-isopropyl-6-methyl-10-oxoundeca-2,6-dienal
3-Hydroxy-4-gymnomitranone|8beta-Hydroxy-gymnomitran-9-one|8??-Hydroxy gymnomitrian-9-one
Dihydrocurcumenone
4β,12-Dihydroxyguaian-6,10-diene
Bisabolone oxide A
[S-(R*,R*)]-dihydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3(4H)-one is a natural product found in Matricaria chamomilla with data available.
C15H24O2_2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-3,8-dimethyl-5-(1-methylethyl)-, (4aR,5S,6S,8R,8aS)
C15H24O2_(4S,4aR)-4-(Hydroxymethyl)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone
(4aR,5S,6S,8R,8aS)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
(-)-Curcumol
[Raw Data] CBA93_(-)-Curcumol_pos_50eV.txt [Raw Data] CBA93_(-)-Curcumol_pos_40eV.txt [Raw Data] CBA93_(-)-Curcumol_pos_30eV.txt [Raw Data] CBA93_(-)-Curcumol_pos_20eV.txt [Raw Data] CBA93_(-)-Curcumol_pos_10eV.txt
(1S)-2,2-dimethyltetrahydrospiro[cyclopentane-1,1-pyrrolizin]-7(7aH)-one O-methyl oxime
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
Petrovin B
4a,5a-Epoxy-11-eudesmen-3a-ol
Aubergenone
(3xi,7(11)Z)-7(11)-Copaene-4,12-diol
capsidiol
An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack.
2-(6,6-Dimethyl-1-cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-Ethylcyclohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-TERT-BUTYL-2-CYCLOHEPTYL-2,4-DIHYDRO-PYRAZOL-3-ONE
4,4-(Dimethylcyclohexene-1-yl)boronic acid pinacol ester
2-(3-CYCLOPENTYLPROP-1-EN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
4-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
n-Butane-2-boronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
5,5-Dimethyl-3-[(piperidin-4-ylmethyl)amino]cyclohex-2-en-1-one
3(or 4)-(4-methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
2-(1-Cycloocten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-[4-(1-aminoethyl)phenyl]-2-(tert-butylamino)ethanol
2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
(2E,7E)-6-Isopropyl-3,9-dimethyl-2,7,9-decatrienoic acid
(3aS,4S,6S,7aR)-2-Butyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
Cyperolone
5-Hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
(2E)-2-[(2R)-2-[(1R,2S)-2-hydroxy-4,4-dimethylcyclopentyl]-2-methylcyclobutylidene]propanal
1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene
A sesquiterpenoid that is bisabola-2,10-diene substituted by a peroxy group between positions 2 and 10 (the 1R,4S,6R stereoisomer). Isolated from Artemisia stolonifera and Eupatorium rufescens, it exhibits antineoplastic and antiplasmodial activity.
1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene
A sesquiterpenoid that is bisabola-2,10-diene substituted by a peroxy group between positions 2 and 10 (the 1S,4R,6R stereoisomer). Isolated from Artemisia stolonifera and Eupatorium rufescens, it exhibits antineoplastic and antiplasmodial activity.
(4S,4AR)-4-(Hydroxymethyl)-3,4A,8,8-tetramethyl-5,6,7,8A-tetrahydro-4H-naphthalen-1-one
10alpha-Hydroperoxy-guaia-1,11-diene
A guaiane sesquiterpenoid that is guaia-1,11-diene substituted by a alpha-hydroperoxy group at position 10. Isolated from Pogostemon cablin, it exhibits trypanocidal activity.
15alpha-Hydroperoxy-guaia-1(10),11-diene
A guaiane sesquiterpenoid that is guaia-1(10),11-diene substituted by a alpha-hydroperoxy group at position 15. Isolated from Pogostemon cablin, it exhibits trypanocidal activity.
1alpha-Hydroperoxy-guaia-10(15),11-diene
A guaiane sesquiterpenoid that is guaia-10(15),11-diene substituted by a alpha-hydroperoxy group at position 1. Isolated from Pogostemon cablin, it exhibits trypanocidal activity.
