Exact Mass: 236.1556114
Exact Mass Matches: 236.1556114
Found 500 metabolites which its exact mass value is equals to given mass value 236.1556114,
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].
Procaine
C13H20N2O2 (236.15247000000002)
Procaine is only found in individuals that have used or taken this drug. It is a local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016). [PubChem]Procaine acts mainly by inhibiting sodium influx through voltage gated sodium channels in the neuronal cell membrane of peripheral nerves. When the influx of sodium is interrupted, an action potential cannot arise and signal conduction is thus inhibited. The receptor site is thought to be located at the cytoplasmic (inner) portion of the sodium channel. Procaine has also been shown to bind or antagonize the function of N-methyl-D-aspartate (NMDA) receptors as well as nicotinic acetylcholine receptors and the serotonin receptor-ion channel complex. Procaine is a local anesthetic drug of the amino ester group. It is used primarily to reduce the pain of intramuscular injection of penicillin, and it is also used in dentistry. Owing to the ubiquity of the trade name Novocain, procaine is sometimes referred to generically as novocaine. It acts mainly by being a sodium channel blocker. C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent KEIO_ID P190; [MS2] KO009161 KEIO_ID P190
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
Heptyl 4-hydroxybenzoate
Heptyl 4-hydroxybenzoate, also known as heptylparaben or nipaheptyl, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Heptyl 4-hydroxybenzoate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). Heptyl 4-hydroxybenzoate is a potentially toxic compound. No indication of carcinogenicity to humans (not listed by IARC). These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. It is used as a food additive . CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5546; ORIGINAL_PRECURSOR_SCAN_NO 5541 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5537; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5548; ORIGINAL_PRECURSOR_SCAN_NO 5545 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5514; ORIGINAL_PRECURSOR_SCAN_NO 5512 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5539 CONFIDENCE standard compound; INTERNAL_ID 575; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5543; ORIGINAL_PRECURSOR_SCAN_NO 5540 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens It is used as a food additive .
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.
METABUTETHAMINE
C13H20N2O2 (236.15247000000002)
N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
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.
Davanone
Main component of davana oil from Artemisia pallens. Davana oil used in food flavouring. Main component of davana oil from Artemisia pallens. Davana oil used in food flavouring
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 .
Mintsulfide
Mintsulfide is found in herbs and spices. Mintsulfide is a constituent of Mentha piperita oil. Constituent of Mentha piperita oil. Mintsulfide is found in herbs and spices.
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.
Eremopetasidione
Eremopetasidione is found in green vegetables. Eremopetasidione is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasidione is found in green vegetables.
beta-Kessyl ketone
beta-Kessyl ketone is found in fats and oils. beta-Kessyl ketone is a constituent of Valeriana officinalis (valerian).
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is a constituent of hops. Constituent of hops
3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is a constituent of hops. Constituent of hops
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).
Dropropizine
C13H20N2O2 (236.15247000000002)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
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.
Oxyglutinosone
Oxyglutinosone is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Oxyglutinosone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Oxyglutinosone can be found in potato, which makes oxyglutinosone 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
Oxyglutinosone
[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
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol
[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
dropropizine
C13H20N2O2 (236.15247000000002)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3307
9beta-hydroxy-8-oxo-12-noreremophil-6-en-11-one|rel-(1R,4aS,5S)-3-acetyl-4a,5,6,7,8,8a-hexahydro-1-hydroxy-4a,5-dimethylnaphthalen-2(1H)-one
6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha-hydroxy-7-oxodecalin|laevinol E
Pyridine, 1-acetyl-5-(1-formyl-2-piperidinyl)-1,2,3,4-tetrahydro-
C13H20N2O2 (236.15247000000002)
4-(1-hydroxy-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-yl)but-3-en-2-one
(1beta,11?鈥?-form-1,11-Dihydroxy-13-nor-6,9-eremophiladien-8-one|1beta-hydroxy-6,9-diene-8-oxo-11-nor-11-hydroxyeremophilane
1-(3-(1-Hydroxy-3-methylbutyl)-4-methoxyphenyl)ethan-1-one
(3aR,5aR,7S,9aS,9bR)-3a,5a,7,8,9,9a,9b-octahydro-3a,7-dihydroxy-7,9b-dimethhylnaphtho[1,2-c]furan-1(3H)-one|(?)-oblongolide C|oblongolide C
3beta,4alpha,9-trihydroxy-14-norcadina-5,7,9-triene|oxyphyllenotriol A
1,5-epidioxy-14-norcarot-2-en-3-one|1,5-epidioxy-14-norcarot-2-en-4-one
1beta-hydroxyl-2-noreudesm-4(15)-en-5alpha,6beta,7alpha,11alphaH-12,6-olide|ajaniaolide A
11beta-hydroxyl-3-oxo-4(5),6(7)-diene-eudesman-12-ol
(S)-dihydrodemethoxywutaiensol|3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]propan-1-ol
(3R,4S)-6,8-dihydroxy-1,1-dimethyl-3,4,5-trimethylisochroman
(5R,7S,10S)-5-hydroxy-13-noreudesma-3-en-2,11-dione
2-(4-methoxyphenyl)-ethylisovalerate|2-<4-methoxyphenyl>-ethylisovalerate
(3aS,5aR,7S,9aS,9bR)-7-(hydroxymethyl)-9b-methyl-3a,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-1(9bH)-one|oblongolide F
(E)-form-12-Tetradecene-8,10-diyne-1,3,14-triol,|Tetradeca-2t-en-4,6-diin-1,12,14-triol
12-Tetradecene-8,10-diyne-1,4,5-triol|tetradeca-12t-ene-8,10-diyne-1,4,5-triol
(3aS,5aR,7R,9aS,9bR)-3a,5a,6,7,8,9,9a,9b-octahydro-7-hydroxy-7,9b-dimethylnaphtho[1,2-c]furan-1(3H)-one|oblongolide D
(E)-form-6-Tetradecene-8,10-diyne-1,5,12-triol|tetradec-6t-ene-8,10-diyne-1,5,12-triol|Tetradec-trans-6-en-8.10-diin-1.5.12-triol
1-[3-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]ethanone
procaine
C13H20N2O2 (236.15247000000002)
C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AD - Local anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BA - Esters of aminobenzoic acid S - Sensory organs > S01 - Ophthalmologicals > S01H - Local anesthetics > S01HA - Local anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent Annotation level-1
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
12,13-Dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one
Levodropropizine
C13H20N2O2 (236.15247000000002)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents Levodropropizine (DF-526) is an orally active histamine receptor inhibitor, Levodropropizine is an effective and very well tolerated peripheral antitussive agent[1].
(r)-[1-(4-amino-phenyl)-ethyl]-carbamic acid tert-butyl ester
C13H20N2O2 (236.15247000000002)
TERT-BUTYL 3-AMINOPHENETHYLCARBAMATE
C13H20N2O2 (236.15247000000002)
2-(3-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-[3-(2-METHOXY-ETHOXY)-PHENYL]-PIPERAZINE
C13H20N2O2 (236.15247000000002)
tert-Butyl [3-(aminomethyl)benzyl]carbamate
C13H20N2O2 (236.15247000000002)
N,N-Diisopropyl-4-methoxypicolinamide
C13H20N2O2 (236.15247000000002)
N-(3-(3-Hydroxypropyl)pyridin-2-yl)pivalamide
C13H20N2O2 (236.15247000000002)
N-butyl-N-ethyl-3-methyl-4-nitroaniline
C13H20N2O2 (236.15247000000002)
3-methyl-4-nitro-N,N-dipropylaniline
C13H20N2O2 (236.15247000000002)
2-METHOXY-4-((1-METHYLPIPERIDIN-4-YL)OXY)ANILINE
C13H20N2O2 (236.15247000000002)
2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid
5,6,7,8-TETRAHYDRO-3H-SPIRO[CYCLOHEXANE-1,4-QUINAZOLINE]-2-THIOL
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
3-N-CBZ-3-Methylbutane-1,3-diamine
C13H20N2O2 (236.15247000000002)
tert-Butyl [4-(aminomethyl)benzyl]carbamate
C13H20N2O2 (236.15247000000002)
tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
tert-butyl (2-amino-1-phenylethyl)carbamate
C13H20N2O2 (236.15247000000002)
1-[2-(4-Methoxy-phenoxy)-ethyl]-piperazine
C13H20N2O2 (236.15247000000002)
3-[1-(Dimethylamino)ethyl]phenol dimethylcarbamate (ester)
C13H20N2O2 (236.15247000000002)
4-(3-morpholin-4-ylpropoxy)aniline
C13H20N2O2 (236.15247000000002)
Butethamine
C13H20N2O2 (236.15247000000002)
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
1-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C12H21BN2O2 (236.16959960000003)
tert-Butyl (2-amino-2-phenylethyl)carbamate
C13H20N2O2 (236.15247000000002)
1-Pyrrolidinecarboxylic acid, 4-amino-2-(difluoromethyl)-, 1,1-d
TERT-BUTYL (1-(2-AMINOPHENYL)ETHYL)CARBAMATE
C13H20N2O2 (236.15247000000002)
[1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
C13H20N2O2 (236.15247000000002)
1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C12H21BN2O2 (236.16959960000003)
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
C13H20N2O2 (236.15247000000002)
[2-(1-amino-ethyl)-phenyl]-carbamic acid tert-butyl ester
C13H20N2O2 (236.15247000000002)
2-)4-METHOXYPHENYL)-2-MORPHOLIN-4-YETHYLAMINE DIHYDROCHLORIDE
C13H20N2O2 (236.15247000000002)
2,3,5,6-tetradeuterio-4-[2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)propan-2-yl]phenol
6-[(2-amino-2-methyl-propyl)amino]-N,N-dimethyl-pyridine-3-carbox amide
[3-[1-(methylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
C13H20N2O2 (236.15247000000002)
2-(4-TERT-BUTYLPHENOXY)PROPANOHYDRAZIDE
C13H20N2O2 (236.15247000000002)
2-hydroxy-3,5-di(propan-2-yl)benzohydrazide
C13H20N2O2 (236.15247000000002)
2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde
C13H20N2O2 (236.15247000000002)
3-METHOXY-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYLAMINE
C13H20N2O2 (236.15247000000002)
THEED (N,N,N,N-Tetrakis(2-hydroxyethyl)ethylenediamine
C10H24N2O4 (236.17359839999997)
[2-(2-MORPHOLINOETHOXY)PHENYL]METHYLAMINE
C13H20N2O2 (236.15247000000002)
tert-butyl N-[[2-(aminomethyl)phenyl]methyl]carbamate
C13H20N2O2 (236.15247000000002)
3-(2-MORPHOLINOETHOXY)PHENYL]METHYLAMINE
C13H20N2O2 (236.15247000000002)
1-(1-METHYLETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C12H21BN2O2 (236.16959960000003)
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanamine
C13H20N2O2 (236.15247000000002)
3-boc-8-cyano-3-azabicyclo[3.2.1]octane
C13H20N2O2 (236.15247000000002)
5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
C13H21BO3 (236.15836660000002)
1-((2-(2-methoxyethoxy)ethoxy)methyl)-4-vinylbenzene
8-(2-Acetyloxiran-2-yl)-6,6-dimethylocta-3,4-dien-2-one
(S)-3-[1-(methylamino)ethyl]-phenyl N-ethyl-N-methyl-carbamate
C13H20N2O2 (236.15247000000002)
alpha-Oxotricyclo[3.3.1.1(3,7)]decane-1-acetic acid ethyl ester
tert-butyl N-[2-(2-aminophenyl)ethyl]carbamate
C13H20N2O2 (236.15247000000002)
methyl 4-({[2-(dimethylamino)ethyl]amino}methyl)benzoate
C13H20N2O2 (236.15247000000002)
Acetamide,N-[3-[(diethylamino)methyl]-4-hydroxyphenyl]-
C13H20N2O2 (236.15247000000002)
TERT-BUTYL 4-(1-AMINOETHYL)PHENYLCARBAMATE
C13H20N2O2 (236.15247000000002)
1-(2,5-DIMETHOXY-BENZYL)-PIPERAZINE
C13H20N2O2 (236.15247000000002)
4-(2-MORPHOLINOETHOXY)PHENYL]METHYLAMINE
C13H20N2O2 (236.15247000000002)
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C12H21BN2O2 (236.16959960000003)
5,6,7,8-TETRAHYDROSPIRO[3,1-BENZOTHIAZINE-4,1-CYCLOHEXAN]-2-AMINE
1-Propyl-1H-pyrazole-4-boronic acid pinacol ester
C12H21BN2O2 (236.16959960000003)
4-Acetylamino-2-(diethylamino)anisole
C13H20N2O2 (236.15247000000002)
1-[2-(2-METHOXY-ETHOXY)-PHENYL]-PIPERAZINE
C13H20N2O2 (236.15247000000002)
3-AMINO-3-(4-DIETHYLAMINO-PHENYL)-PROPIONIC ACID
C13H20N2O2 (236.15247000000002)
6-Trimethylsilylmethyl-3,4,4a,5,8,8a-hexahydro-1(2H)-naphthalenone
C14H24OSi (236.15963339999996)
4-[(Isopropylamino)Methyl]Phenylalanine
C13H20N2O2 (236.15247000000002)
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is a constituent of hops. Constituent of hops
1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine
(13aS)-5,6,7,8,13,13a-hexahydroisoquinolino[2,1-b]isoquinolin-7-ium
3,4a-Dihydroxy-4-methyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
N-cyclohexyl-5-propyl-1,2-oxazole-3-carboxamide
C13H20N2O2 (236.15247000000002)
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
1-Butan-2-yl-3-(4-ethoxyphenyl)urea
C13H20N2O2 (236.15247000000002)
N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
C13H20N2O2 (236.15247000000002)
4-Methyl-1-oxido-6-(2,4,4-trimethylpentyl)pyridin-2-one
(2R/S)-2-[4-(2-Hydroxy-2-methylpropyl)-phenyl]-propionic acid methyl ester
1-Trimethylsilyloxy-4-(1,1-dimethylpropyl)benzene
C14H24OSi (236.15963339999996)
2-Methyl-6-tert-butylphenol, TMS derivative
C14H24OSi (236.15963339999996)
2-Methyl-4-phenyl-2-trimethylsilyloxybutane
C14H24OSi (236.15963339999996)
3,4,4a,5,8,8a-Hexahydro-7-trimethylsilylmethyl-1(2H)-naphthalenone
C14H24OSi (236.15963339999996)
Heptylparaben
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens
[(2s)-2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methanol
(4r,5ar,8r,8as)-8-hydroxy-4,7,7-trimethyl-3h,4h,5h,5ah,6h,8h,8ah-indeno[4,5-c]furan-1-one
(4s,5s)-4-hydroxy-2-methyl-5-(5-methylhex-4-enoyl)cyclohex-2-en-1-one
8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3as,5ar,7r,8r,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
2a,4-dihydroxy-3,6,7b-trimethyl-1h,2h,3h,4h,5h,6h-cyclobuta[e]inden-7-one
(5r,5as,7s,9as,9br)-5-hydroxy-7,9b-dimethyl-3h,5h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
7-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
7-(hydroxymethyl)-9b-methyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(5r,6r)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione
4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-en-1-ol
(4as)-7-[(2s)-1,2-dihydroxypropan-2-yl]-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
5-acetyl-4,4a-dimethyl-hexahydro-1ah-naphtho[4,4a-b]oxiren-6-one
(3-aminopropyl)(4-{[3-(chloroamino)propyl]amino}butyl)amine
(3ar,5ar,7s,9as,9br)-3a-hydroxy-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3as,5ar,7r,8s,9as,9br)-8-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(2r)-2-[(1e,5r)-5-hydroxyhex-1-en-1-yl]-2-methyl-5-[(1e)-prop-1-en-1-yl]furan-3-one
[5-(6-methoxypyridin-2-yl)-1-methylpiperidin-3-yl]methanol
C13H20N2O2 (236.15247000000002)
1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
1,1,3-Trimethyl-3-phenylindane
{"Ingredient_id": "HBIN000310","Ingredient_name": "1,1,3-Trimethyl-3-phenylindane","Alias": "NA","Ingredient_formula": "C18H20","Ingredient_Smile": "CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C","Ingredient_weight": "236.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40552","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "19793","DrugBank_id": "NA"}
2,4-Diphenyl-4-methyl-2-pentene
{"Ingredient_id": "HBIN004369","Ingredient_name": "2,4-Diphenyl-4-methyl-2-pentene","Alias": "NA","Ingredient_formula": "C18H20","Ingredient_Smile": "CC(=CC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2","Ingredient_weight": "236.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41030","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5376315","DrugBank_id": "NA"}
3(10)-Caren-4-ol, acetoacetic acid ester
{"Ingredient_id": "HBIN006892","Ingredient_name": "3(10)-Caren-4-ol, acetoacetic acid ester","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(=O)CC(=O)OC1CC2C(C2(C)C)CC1=C","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40809","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538448","DrugBank_id": "NA"}
ailanthoidiol
{"Ingredient_id": "HBIN014940","Ingredient_name": "ailanthoidiol","Alias": "NA","Ingredient_formula": "C14H20O3","Ingredient_Smile": "CC(CCOC1=CC=C(C=C1)C=CCO)CO","Ingredient_weight": "236.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "775","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5316925","DrugBank_id": "NA"}
(4as)-7-[(2r)-1,2-dihydroxypropan-2-yl]-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
methyl 2-[4-hydroxy-3-(3-methylbutyl)phenyl]acetate
1-[5-(1-hydroxyethyl)-2-methoxyphenyl]-3-methylbutan-1-one
(3ar,8s,8ar)-3-ethyl-8-hydroxy-6-(hydroxymethyl)-8a-methyl-3a,4,7,8-tetrahydroazulen-1-one
2-(hexa-1,3-dien-1-yl)-5-(2-hydroxypropyl)-2-methylfuran-3-one
(2e)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbut-2-en-1-ol
(1r,6r,8r)-6-hydroxy-3-(hydroxymethyl)-10,10-dimethyltricyclo[6.3.0.0²,⁶]undec-2-en-4-one
(1r,2s,4r,6r,7s)-4-hydroxy-10-(hydroxymethyl)-2,6-dimethyltricyclo[5.3.1.0²,⁶]undec-9-en-8-one
2-methoxy-3-methyl-6-[(2e,4s)-4-methylhex-2-en-2-yl]pyran-4-one
4-hydroxy-2-methyl-5-(5-methylhex-4-enoyl)cyclohex-2-en-1-one
5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalene-2-carboxylic acid
(5s,6s)-6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione
5-(2-hydroxy-6-oxohept-4-en-2-yl)-2-methylcyclohex-2-en-1-one
(1as,4s,4as,5s,8ar)-5-acetyl-4,4a-dimethyl-hexahydro-1ah-naphtho[4,4a-b]oxiren-6-one
(2r)-2-(1-acetyl-5,6-dihydro-4h-pyridin-3-yl)piperidine-1-carbaldehyde
C13H20N2O2 (236.15247000000002)
8-hydroxy-3-(1-hydroxyethyl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
4-hydroxy-10-(hydroxymethyl)-2,6-dimethyltricyclo[5.3.1.0²,⁶]undec-9-en-8-one
[(3s,5r)-5-(6-methoxypyridin-2-yl)-1-methylpiperidin-3-yl]methanol
C13H20N2O2 (236.15247000000002)
2-(4a-methyl-8-oxo-octahydronaphthalen-2-yl)prop-2-enoic acid
(1s,3s)-8-hydroxy-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1h-isoquinolin-2-ium
4-methoxy-5-methyl-6-(3-methylhex-1-en-1-yl)pyran-2-one
1-{5-[(1r)-1-hydroxyethyl]-2-methoxyphenyl}-3-methylbutan-1-one
(3r,4s)-1,1,3,4,5-pentamethyl-3,4-dihydro-2-benzopyran-6,8-diol
3-acetyl-1-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
1-{3-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}ethanone
(2s)-4-{4-[(1e)-3-hydroxyprop-1-en-1-yl]phenoxy}-2-methylbutan-1-ol
2-[(2s)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
2-(hept-1-en-1-yl)-3-(hydroxymethyl)benzene-1,4-diol
(1s,4ar,8ar)-6-formyl-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
(5r)-5-[(2r,4e)-2-hydroxy-6-oxohept-4-en-2-yl]-2-methylcyclohex-2-en-1-one
(1r)-9-(hydroxymethyl)-2,2-dimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodec-9-en-5-one
7-hydroxy-6-(2-hydroxyethyl)-2,2,7-trimethyl-1,7a-dihydroinden-4-one
(4as,5s,8r)-8-hydroxy-3-[(1r)-1-hydroxyethyl]-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
(1r,2r,5r,7s)-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-9-en-8-one
3-ethyl-8-hydroxy-6-(hydroxymethyl)-8a-methyl-3a,4,7,8-tetrahydroazulen-1-one
9-(hydroxymethyl)-2,2-dimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodec-9-en-5-one
6-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(6z)-2-ethyl-6-(hydroxymethylidene)-2-methyl-5-(sec-butyl)cyclohex-4-ene-1,3-dione
4-methoxy-5-methyl-6-[(1e,3r)-3-methylhex-1-en-1-yl]pyran-2-one
6-formyl-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
(3as,5ar,7r,9as,9br)-7-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(3as,5ar,9ar,9bs)-5a-hydroxy-9a-methyl-6-methylidene-octahydronaphtho[1,2-c]furan-3-one
(4ar,5s,8ar)-3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4h-naphthalen-1-one
(2s)-2-(hexa-1,3-dien-1-yl)-5-[(2s)-2-hydroxypropyl]-2-methylfuran-3-one
6-butyl-8,9-dimethyl-1-oxaspiro[4.4]non-8-ene-2,7-dione
2-[(2r,4as,6r,8as)-6-hydroxy-4a-methyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl]prop-2-enoic acid
5-hydroxy-7,9b-dimethyl-3h,5h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(1s,6s,8s,8as)-1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
(4ar,5r,7ar,9as)-5-hydroxy-5-methyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
1,1,3,4,5-pentamethyl-3,4-dihydro-2-benzopyran-6,8-diol
4-{4-[(1e)-3-hydroxyprop-1-en-1-yl]phenoxy}-2-methylbutan-1-ol
(3as,5ar,7s,9as,9br)-7-(hydroxymethyl)-9b-methyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
(2s)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-5-[(2s)-2-hydroxypropyl]-2-methylfuran-3-one
(2ar,3r,4r,6s,7br)-2a,4-dihydroxy-3,6,7b-trimethyl-1h,2h,3h,4h,5h,6h-cyclobuta[e]inden-7-one
(1as,4s,4as,5r,8ar)-5-acetyl-4,4a-dimethyl-hexahydro-1ah-naphtho[4,4a-b]oxiren-6-one
(3as,5ar,6r,7s,9as,9br)-6-hydroxy-7,9b-dimethyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1-one
3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4h-naphthalen-1-one
n-(1-oxo-5,6,7,7a-tetrahydropyrrolizin-3-yl)hexanamide
C13H20N2O2 (236.15247000000002)
(4s,4as,5r,6s)-5-acetyl-6-hydroxy-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
(1r,7s,9ar)-1-hydroxy-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulene-6-carboxylic acid
3-methyl-4-[(1e)-8-oxonon-1-en-1-yl]-5h-furan-2-one
(2s)-2-[(1e,3e)-hexa-1,3-dien-1-yl]-5-[(2r)-2-hydroxypropyl]-2-methylfuran-3-one
(2r,4s,9r)-9-hydroxy-2,6,6,9-tetramethyl-10-oxatricyclo[6.3.0.0²,⁴]undec-1(8)-en-11-one
2-[(2r,4ar,8ar)-4a-methyl-8-oxo-octahydronaphthalen-2-yl]prop-2-enoic acid
(3ar,4ar,5r,7ar,9as)-5-hydroxy-5-methyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
(4as,8ar)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4h-naphthalene-2-carboxylic acid
8-hydroxy-4,7,7-trimethyl-3h,4h,5h,5ah,6h,8h,8ah-indeno[4,5-c]furan-1-one
2-{[4-(ethylimino)-6-methoxy-1h-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile
C10H16N6O (236.13855259999997)