Exact Mass: 454.3117
Exact Mass Matches: 454.3117
Found 500 metabolites which its exact mass value is equals to given mass value 454.3117,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Verapamil
Verapamil is only found in individuals that have used or taken this drug. Verapamil is a calcium channel blocker that is a class IV anti-arrhythmia agent. [PubChem]Verapamil inhibits voltage-dependent calcium channels. Specifically, its effect on L-type calcium channels in the heart causes a reduction in ionotropy and chronotropy, thuis reducing heart rate and blood pressure. Verapamils mechanism of effect in cluster headache is thought to be linked to its calcium-channel blocker effect, but which channel subtypes are involved is presently not known. [PubChem] Calcium channel antagonists can be quite toxic. In the management of poisoning, early recognition is critical. Calcium channel antagonists are frequently prescribed, and the potential for serious morbidity and mortality with over dosage is significant. Ingestion of these agents should be suspected in any patient who presents in an overdose situation with unexplained hypotension and conduction abnormalities. The potential for toxicity should be noted in patients with underlying hepatic or renal dysfunction who are receiving therapeutic doses. (PMID 8213877). C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker A calcium channel blocker that is a class IV anti-arrhythmia agent. -- Pubchem; COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; INTERNAL_ID 8557 CONFIDENCE standard compound; INTERNAL_ID 2260 CONFIDENCE standard compound; INTERNAL_ID 4081 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker KEIO_ID V021; [MS2] KO009311 Corona-virus KEIO_ID V021 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
beta-Elemonic acid
beta-Elemonic acid is found in herbs and spices. beta-Elemonic acid is a constituent of elemi resin. beta-Elemonic acid is a flavouring agent beta-Elemonic acid is a natural product found in Ganoderma tsugae, Ganoderma lucidum, and Boswellia with data available. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2]. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2].
Mangiferonic acid
Mangiferonic acid is found in fruits. Mangiferonic acid is isolated from Mangifera indica (mango Isolated from Mangifera indica (mango). Mangiferonic acid is found in mango and fruits.
Isomasticadienonic acid
Isomasticadienonic acid is found in beverages. Isomasticadienonic acid is a constituent of Schinus molle (California peppertree).
Masticadienonic acid
Masticadienonic acid is found in fruits. Masticadienonic acid is a constituent of Pistacia species. Constituent of Pistacia subspecies Masticadienonic acid is found in fruits.
Ganoderiol F
Ganoderiol F is found in mushrooms. Ganoderiol F is a metabolite of Ganoderma lucidum (reishi).
Katononic acid
Katononic acid is found in fruits. Katononic acid is a constituent of Sandoricum koetjape (santol). Constituent of Sandoricum koetjape (santol). Katononic acid is found in fruits.
Tomentosolic acid
Tomentosolic acid is found in herbs and spices. Tomentosolic acid is a constituent of Sanguisorba officinalis (burnet bloodwort) Constituent of Sanguisorba officinalis (burnet bloodwort). 19-Dehydroursolic acid is found in tea and herbs and spices.
Glypallidifloric acid
Glypallidifloric acid is found in herbs and spices. Glypallidifloric acid occurs in roots of Glycyrrhiza uralensis (Chinese licorice) (isolated as Me ester). Occurs in roots of Glycyrrhiza uralensis (Chinese licorice) (isol. as Me ester). Glypallidifloric acid is found in herbs and spices.
3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al
3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al is found in mushrooms. 3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al is a metabolite of Ganoderma lucidum (reishi Metabolite of Ganoderma lucidum (reishi). 3beta-3-Hydroxy-11-oxolanosta-8,24-dien-26-al is found in mushrooms.
Desoxoglabrolide
Desoxoglabrolide is found in herbs and spices. Saponin from Glycyrrhiza glabra (licorice
Ursonic acid
Ursonic acid is found in fruits. Ursonic acid is a constituent of dammar resin and blackberry whole plant Constituent of dammar resin and blackberry whole plant. Ursonic acid is found in fruits. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways.
Ganoderal B
Ganoderal B is found in mushrooms. Ganoderal B is a metabolite of Ganoderma lucidum (reishi Metabolite of Ganoderma lucidum (reishi). Ganoderal B is found in mushrooms.
Ceanothenic acid
Ceanothenic acid is found in tea. Ceanothenic acid is a constituent of Ceanothus americanus (New Jersey tea). Constituent of Ceanothus americanus (New Jersey tea). Ceanothenic acid is found in tea.
Micromeric acid
Micromeric acid is a constituent of lavender. Constituent of lavender
Ganoderic acid Y
Ganoderic acid Y is found in mushrooms. Ganoderic acid Y is a constituent of Ganoderma lucidum (reishi) Constituent of Ganoderma lucidum (reishi). Ganoderic acid Y is found in mushrooms.
9(11)-Dehydroglycyrrhetic acid
9(11)-Dehydroglycyrrhetic acid is isolated from roots of Glycyrrhiza uralensis (Chinese licorice) and from licorice root (Glycyrrhiza glabra). Isolated from roots of Glycyrrhiza uralensis (Chinese licorice) and from licorice root (Glycyrrhiza glabra)
Bryononic acid
Bryononic acid is found in fruits. Bryononic acid is a constituent of Sandoricum indicum (santol) Constituent of Sandoricum indicum (santol). Bryononic acid is found in fruits.
Epoxyganoderiol B
Epoxyganoderiol B is found in mushrooms. Epoxyganoderiol B is a metabolite of Ganoderma lucidum (reishi Metabolite of Ganoderma lucidum (reishi). Epoxyganoderiol B is found in mushrooms.
Ubiquinone-4
Ubiquinone-4 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-4 has just 4 isoprene units. Normally in humans it has 10 (CoQ10). Ubiquinone-4 is an intermediate in the synthesis of Ubiquionone 10. Ubiquinone-4 is a Coenzyme Q analogue that have been identified in brain. Based on the isoprenoid moiety, the presence of various coenzyme Q homologues in prokaryotes and eurkaryotes has been confirmed, and these homologues are classified as Q1, Q2, Q3, Q4, Q5, Q6, Q7, Q8, Q9, Q10, Q11, and Q12. The numbers, Qn, refer to the number of isoprenoid units attached at the 6- position on the benzoquinone ring of the coenzyme Q moiety. (PMID: 12064350) Coenzyme Q is the only type of Quinone naturally found in animals (other quinones such as vitamin K is provided by foods). Coenzyme Q is a fat-soluble and amphipathic compound that is the integral component of the electron transport chain in mitochondria. It is ubiquitous in nature and is found in subcellular organelles, serum lipoproteins, blood plasma, urine, and feces. Ubiquinones are amphipathic because of the benzoquinone ring (hydrophilic) and the polyisoprenoid side chain moiety (lipophilic). The primary role of coenzyme Q is to transfer electrons between redox components of the electron transport chain, to create a proton gradient across the inner mitochondrial membrane and drive ATP formation. Additional functions of coenzyme Q are to influence membrane fluidity; to recycle the radical forms of vitamin C and E; and, most important, to act as a lipid antioxidant protecting membrane phospholipids against peroxidation. Coenzyme Q is the only endogenously occurring lipid-soluble antioxidant that occurs ubiquitously and can be synthesized in all organisms. Isolated from various yeasts
27-Norcholestanehexol
27-Norcholestanehexol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. (PMID: 6548247, 11718684) [HMDB] 27-Norcholestanehexol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10\\% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. (PMID: 6548247, 11718684).
13'-Carboxy-alpha-tocotrienol
13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Seocalcitol
Betulonic acid
Cyclocaric acid A
Ezlopitant
Moronic acid
Oleanonic acid
Testosterone buciclate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)
DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0)
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6))
DG(2:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/2:0)
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
3-Oxo-olean-12-en-28-oic acid
3-oxo-olean-12-en-28-oic acid is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 3-oxo-olean-12-en-28-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-oxo-olean-12-en-28-oic acid can be found in common grape, which makes 3-oxo-olean-12-en-28-oic acid a potential biomarker for the consumption of this food product.
1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane
1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane can be found in ginger, which makes 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane a potential biomarker for the consumption of this food product.
Oleoside 11-methylester
Ile-Ile-Ile-Pro
Verapamil
C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 674 EAWAG_UCHEM_ID 674; CONFIDENCE standard compound D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Liquidambaric
Betulonic acid is a triterpenoid. It has a role as an anticoronaviral agent. Betulonic acid is a natural product found in Lantana camara, Ozothamnus stirlingii, and other organisms with data available. See also: Jujube fruit (part of). Betulonic acid (Betunolic acid), a naturally occurring triterpene, is found in many plants. Betulonic acid has anti-tumor, anti-inflammatory, antiparasitic and anti-viral (HSV-1) activities[2][1][3][4]. Betulonic acid (Betunolic acid), a naturally occurring triterpene, is found in many plants. Betulonic acid has anti-tumor, anti-inflammatory, antiparasitic and anti-viral (HSV-1) activities[2][1][3][4].
regelide
Wilforlide A is a natural product found in Plenckia populnea, Tripterygium regelii, and other organisms with data available. Wilforlide A is a bioactive triterpene isolated from Tripterygium wilfordii Hook f. Wilforlide A has anti-inflammatory and immune suppressive effects[1]. Wilforlide A is a bioactive triterpene isolated from Tripterygium wilfordii Hook f. Wilforlide A has anti-inflammatory and immune suppressive effects[1].
3-Ketone
Ursonic acid is a triterpenoid. Ursonic acid is a natural product found in Bursera linanoe, Lantana camara, and other organisms with data available. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways.
oleanonicacid
Oleanonic acid is a natural product found in Myrcia guianensis, Lantana montevidensis, and other organisms with data available. Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV. Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV.
Dehydrotrametenolic acid
3-Dehydrotrametenolic acid is a natural product found in Wolfiporia cocos with data available. 3-?Dehydrotrametenolic acid, isolated from the sclerotium of Poria cocos, is a lactate dehydrogenase (LDH) inhibitor. 3-?Dehydrotrametenolic acid promotes adipocyte differentiation in vitro and acts as an insulin sensitizer in vivo. 3-?Dehydrotrametenolic acid induces apoptosis and has anticancer activity[1][2]. 3-?Dehydrotrametenolic acid, isolated from the sclerotium of Poria cocos, is a lactate dehydrogenase (LDH) inhibitor. 3-?Dehydrotrametenolic acid promotes adipocyte differentiation in vitro and acts as an insulin sensitizer in vivo. 3-?Dehydrotrametenolic acid induces apoptosis and has anticancer activity[1][2].
Oleanonic
Oleanonic acid is a natural product found in Myrcia guianensis, Lantana montevidensis, and other organisms with data available. Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV. Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV.
Ursonic
Ursonic acid is a triterpenoid. Ursonic acid is a natural product found in Bursera linanoe, Lantana camara, and other organisms with data available. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways.
Dehydrotrametenolic
3-Dehydrotrametenolic acid is a natural product found in Wolfiporia cocos with data available. 3-?Dehydrotrametenolic acid, isolated from the sclerotium of Poria cocos, is a lactate dehydrogenase (LDH) inhibitor. 3-?Dehydrotrametenolic acid promotes adipocyte differentiation in vitro and acts as an insulin sensitizer in vivo. 3-?Dehydrotrametenolic acid induces apoptosis and has anticancer activity[1][2]. 3-?Dehydrotrametenolic acid, isolated from the sclerotium of Poria cocos, is a lactate dehydrogenase (LDH) inhibitor. 3-?Dehydrotrametenolic acid promotes adipocyte differentiation in vitro and acts as an insulin sensitizer in vivo. 3-?Dehydrotrametenolic acid induces apoptosis and has anticancer activity[1][2].
Oleanonic acid
Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV. Oleanonic acid (3-Oxooleanolic acid) is a triterpenoid, inhibits infection by HIV.
Betulonic acid
Betulonic acid (Betunolic acid), a naturally occurring triterpene, is found in many plants. Betulonic acid has anti-tumor, anti-inflammatory, antiparasitic and anti-viral (HSV-1) activities[2][1][3][4]. Betulonic acid (Betunolic acid), a naturally occurring triterpene, is found in many plants. Betulonic acid has anti-tumor, anti-inflammatory, antiparasitic and anti-viral (HSV-1) activities[2][1][3][4].
Ganoderone A
A tetracyclic triterpenoid that is 5alpha-lanosta-8,24-diene substituted by a hydroxy group at position 26 and oxo groups at positions 3 and 7. Isolated from the fruiting bodies of Ganoderma pfeifferi, it exhibits against herpes simplex virus.
Wilforlide A
Wilforlide A is a bioactive triterpene isolated from Tripterygium wilfordii Hook f. Wilforlide A has anti-inflammatory and immune suppressive effects[1]. Wilforlide A is a bioactive triterpene isolated from Tripterygium wilfordii Hook f. Wilforlide A has anti-inflammatory and immune suppressive effects[1].
Hyperinol A
A hexacyclic triterpenoid that is 13,28-epoxyursan-28-one with a terminal double bond between positions 20(30) and is substituted by a hydroxy group at position 3 (the 3beta,19alpha stereoisomer). It is a taraxastane-type triterpene isolated from Hypericum oblongifolium and exhibits enzyme inhibitory activity against chymotrypsin.
Moronic acid
A pentacyclic triterpenoid that is olean-18-ene substituted at position 3 by an oxo group and position 28 by a carboxy group.
beta-Elemonic acid
Constituent of elemi resin. Flavouring agent. beta-Elemonic acid is found in herbs and spices. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2]. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2].
mangiferonic acid
3alpha-hydroxy-18(13->12)abeo-lanost-7(8),12(18),24(Z)-trien-26-oic acid|ananosic acid D
isopimaryl 2beta<(1-methyl-2-al)ethyl>-5alpha-methyl-cyclopenta-beta-carboxylate|isopimaryl 2beta[(1-methyl-2-al)ethyl]-5alpha-methyl-cyclopenta-beta-carboxylate
22-hydroxytricualla-7,24-diene-3,23-dione|22alpha-hydroxy-tirucallane-7,24-diene-3,23-dione
27-hydroxy-3-oxo-9beta-lanosta-7,24-dien-26,23R-olide
21-Ketone-(14beta,21beta)-14,26-Epoxy-21-hydroxy-3-serratanone
24-(E)-3-oxo-dammara-6-beta-hydroxy-20,24-dien-26-al
(3aS,5R,5aS,7R,8S,9R,9aS,9bR)-dodecahydro-3a,7,8,9b-tetrahydroxy-5,8-dimethyl-1-methylidenenaphtho[2,1-b]furan-9-yl decanoate|strobilol K
21-Oxo-3,4-seco-4(23),12-ursadien-3-oic acid|21-oxo-3,4-seco-ursan-4(23),12-dien-3-oic acid
3beta-Hydroxy-oleana-11,13(18)-dien-28-oic acid|3beta-Hydroxy-oleana-11,13(18)-dien-28-saeure|3beta-hydroxy-oleanadien-(11.13(18))-oic acid-(28)|3beta-Hydroxy-oleanadien-(11.13(18))-saeure-(28)|3beta-hydroxyolean-11,13(18)-dien-28-oic acid|3beta-hydroxyoleana-11,13(18)-dien-28-oic acid
4alpha-methylergosta-8,24(28)-diene-3,11-dione-26-oic acid|antcin A
(24E)-3alpha-hydroxy-17,14-friedolanostan-8,14,24-trien-26-oic acid|(24E)-3??-Hydroxy-17,14-friedo-lanostan-8,14,24-trien-26-oic acid
(23R)-3alpha-Hydroxy-9,19-cyclo-9beta-lanost-24-en-26,23-olide
3beta,25-epoxy-25-hydroxy-14-taraxerene-1-one|herranone
(2,3-dihydro-3-methylenebenzo[b]oxepin-7-yl)methyl stearate
(13R)-labda-14(15)-ene-8,13-diol 13-O-alpha-L-6-deoxyidopyranoside
(3beta,9beta,23R)-3-Hydroxylanosta-7,24-dien-26,23-olide
(3-Acetylglyceryl)ester 鈥樎?ent-13S)-8,9-Dioxo-8,9-seco-15-labdanoic acid
2alpha,3beta-dihydroxy-24-nor-urs-4(23),11-dien-28,13beta-olide|ilekudinol A
17beta-hydroxy-3,11,16-trioxo-28-norolean-12-ene|17??-Hydroxy-3,11,16-trioxo-28-norolean-12-ene
23-oxo-3,4-seco-9betaH-lanost-4(28),7,24-trien-3-oic acid|seco-coccinic acid B
24-(E)-3-oxo-dammara-23-alpha-hydroxy-20,24-dien-26-al
15alpha,26-dihydroxy-5alpha-lanosta-7,9,24(E)-trien-3-one|5alpha-lanosta-7,9(11),24-triene-15alpha,26-dihydroxy-3-one
7beta,24-Epoxy-friedelan-1,3-dion|7beta,24-epoxy-friedelane-1,3-dione
7-[5-(Decahydro-4a-hydroxy-1,2,5,5-tetramethyl-1-naphthalenyl)-3-methyl-2-pentenyl]-3,7-dihydro-2,3-dimethyl-6H-purin-6-one,9CI
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Ganoderiol F
Metabolite of Ganoderma lucidum (reishi). Ganoderiol F is found in mushrooms.
lamesticumin C
A triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
lamesticumin D
A triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
(3alpha,16beta)-3-Hydroxyeupha-7,24-dien-21,16-olide
2-methyl-5,5-[(8Z)-hexadec-8-ene-1,16-diyl]bisresorcinol
(17S)-17,18-seco-lup-19(21)-ene-3,18,22-trione|officinatrione
(1betaH,3betaH)-epoxy-olean-13(18)-ene-3alpha,2-olide
lup-12,20(29)-dien-3beta-ol-26-oic acid|moruslupenoic acid B
13,27-cyclo-19alpha-hydroxy-3-oxo-24-nor-olean-11-en-28-oic acid|donellanic acid A
11alpha,12alpha-epoxy-3beta-hydroxy-24-nor-olean-4(23)-en-28,13beta-olide
3beta-hydroxy-5alpha-lanosta-7,24-dien-30,9alpha-olide
(2S,5S,8R,9S,10R,13S)-2-hydroperoxy-13-O-arabinopyranosyl-3,14-clerodadiene
3beta-hydroxy-1-oxo-30-norolean-12,20(29)-dien-28-oic acid|euscaphic acid H
(23S)-3beta-dihydroxyl-dammarane-4-ene-21-oic acid-21, 23-lactone
3beta-hydroxyl-21/23,23/27-diepoxy-29-nor-5alpha-cycloart-24-en-27-one|aphagrandinoid A
(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1-((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a-(epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione|29-nor-3-oxo-7beta,8beta-epoxy-5alpha-lanost-24-en-30,9alpha-olide
28-hydro-3-oxo-lup-20(29)-en-30-al|28-hydroxy-3-oxo-lup-20(29)-en-30-al|28-Hydroxy-3-oxo-lup-20-(29)-en-30-al
3beta,21beta-Dihydroxy-olean-12-en-saeure-(28)-lacton-(28->21)
(23R,25R)-3-oxolanost-7-en-26,23-olide|3-oxo-9BetaH-lanosta-7-en-23,26-olide
3alpha-hydroxyolean-11-en-28,13alpha-olide|3alpha-hydroxyolean-11-en-28,13beta-olide
(5aS,7aR,8R,10aS,10bS,12aR)-1,4,5,5a,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1,1,5a,7a,10a-pentamethyl-8-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3-one|coccinilactone B
10(14)-pseudoguaien-8alpha-(3-methylbutyryloxy)-11-O-beta-D-xylopyranoside|echusoside
3-Ketone-3alpha-3-Hydroxytirucalla-7,24-dien-21-oic acid
3alpha-isopimaryloxi-4alpha,4aalpha,7alpha,7aalpha-dihydronepetalactone
5alpha,6alpha-epidioxygorgosta-6,9(11)-dien-3beta-ol
3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione|3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-diene-7,11-dione
3-Oxo-20(30)-ursen-28-oic acid|Liquidambronovic acid
(5Z,4E,8E,12E)-2-Methylene-2-<5-(5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene)tetrahydropyran-2-yl>acetic acid
3alpha-hydroxy-urs-9,12-diene-24-oic acid|3alpha-hydroxy-ursadien-(9(11).12)-oic acid-(24)|3alpha-Hydroxy-ursadien-(9(11).12)-saeure-(24)|9,11-dehydro-beta-boswellic acid
methyl 3beta-hydroxy-30-norolean-12,19-dien-28-oate
Anwuweizonic acid
Anwuweizonic acid is a natural product found in Schisandra propinqua and Kadsura induta with data available.
Ganoderic acid Y
Ganoderic acid Y is a triterpenoid. Lanosta-7,9(11),24-trien-26-oic acid, 3-hydroxy-, (3beta,24E)- is a natural product found in Ganoderma leucocontextum, Ganoderma concinnum, and Ganoderma lucidum with data available.
Sanguisorbigenin
Sanguisorbigenin is a natural product found in Sanguisorba officinalis with data available.
Terebinthone
(E)-Masticadienonic acid is a natural product found in Amphipterygium adstringens and Schinus terebinthifolia with data available.
Verapamil
C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.908
C30H46O3_(5xi,9xi,13xi,18xi,19beta)-3-Oxolup-20(29)-en-28-oic acid
C30H46O3_(3beta,5xi,9xi,13alpha,17alpha,18xi)-3-Hydroxy-13,28-epoxyurs-11-en-28-one
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-23-one
9(11)-Dehydroglycyrrhetic acid
Origin: Plant; SubCategory_DNP: Triterpenoids
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-23-one_major
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-23-one_19.3\\%
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-23-one_70.5\\%
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-23-one_18.9\\%
(1S,4S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹?.0?,¹?.0?,¹?.0?,¹³]tetracos-15-en-23-one
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Coenzyme Q4
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol
(5Z,7E)-(1S,3R)-24a,24b-dihomo-24a,24b-epoxy-9,10-seco-5,7,10(19)-cholestatriene-23-yne-1,3,25-triol
(5Z,7E,22E,24E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol
(5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol
1α,24-Dihydroxy-22-ene-24-cyclopropylvitamin D3
D-Elemic acid
β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2]. β-Elemonic acid is a triterpene isolated from Boswellia carterii. β-Elemonic acid induces cell apoptosis, reactive oxygen species (ROS) and COX-2 expression and inhibits prolyl endopeptidase. β-Elemonic acid exhibits anticancer and anti-inflammatory effects[1][2].
Isomasticadienonic acid
Ganoderic aldehyde A
Bryononic acid
Desoxoglabrolide
Epoxyganoderiol B
Ganoderal B
Ursonic acid
Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways. Ursonic acid is a natural triterpene acid that can induce apoptosis in human cancer cells through multiple signaling pathways.
Micromeric acid
Ceanothenic acid
Katononic acid
Glypallidifloric acid
11,12-Dehydroursolic acid lactone
26,26,26-trifluoro-25-hydroxyvitamin D3
24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3
1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homovitamin D3
1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homo-20-epivitamin D3
1alpha,24-Dihydroxy-22-ene-24-cyclopropylvitamin D3
(20R)-3beta-hydroxy-D:C-friedoolean-7,9(11)-dien-29-oic acid
dexverapamil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether
(4-octoxyphenyl)-(4-octoxyphenyl)imino-oxidoazanium
Seocalcitol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000970 - Antineoplastic Agents
fatsicarpain D
A pentacyclic triterpenoid that is oleana-9(11),12-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity.
26,26,26-trifluoro-25-hydroxyvitamin D3/26,26,26-trifluoro-25-hydroxycholecalciferol
24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3/24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxycholecalciferol
10-Deoxymethymycin(1+)
An ammonium ion resulting from the protonation of the amino group of 10-deoxymethymycin. Major species at pH 7.3.
(5Z)-5-[(2E)-2-[1-[(3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane
1,2,8,8,15,21-Hexamethyl-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.018,21]tetracos-11-ene-5-carboxylic acid
Wilforic acid
A pentacyclic triterpenoid with formula C29H42O4, originally isolated from Tripterygium sp.
3alpha-Hydroxyolean-11-en-28,13beta-olide
A terpene lactone that is 13,28-epoxyolean-11-en-28-one substituted by an alpha-hydroxy group at position 3. It has been isolated from the leaves and twigs of Fatsia polycarpa.
3alpha-Hydroxyolean-11,13(18)-dien-28-oic acid
A pentacyclic triterpenoid that is oleana-11,13(18)-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. It has been isolated from the leaves and twigs of Fatsia polycarpa.
3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]urea
24,25-Epoxytirucall-7-ene-3,23-dione
A tirucallane triterpenoid found in Dysoxylum lenticellatum.
N-[[(2R,4S,5R)-5-[5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-ethylbutanamide
2-{[(17beta-hydroxyandrost-4-en-3-ylidene)amino]oxy}-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
5alpha-Androstane-3alpha-glcosyl-17beta-diol
A steroid saponin that is 5alpha-androstane-3alpha,17beta-diol attached to a alpha-D-glucopyranosyl residue at position 3 via a glycosidic linkage.
(1S,4S,5R,10S,13S,17S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
(1S)-N-cyclohexyl-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R)-N-cyclohexyl-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
[O-(1-O-Tridecanoyl-L-glycero-3-phospho)choline]anion
[O-(1-O-Tetradecyl-L-glycero-3-phospho)choline]anion
(3beta,5xi,18xi)-3-Hydroxyoleana-9(11),12-dien-30-oic acid
2-[Hydroxy-(2-hydroxy-3-tetradecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-hydroxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropoxy]propyl]-trimethylazanium
2-[Hydroxy-(3-octoxy-2-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(3-Decoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Butanoyloxy-3-nonoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Acetyloxy-3-undecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Lucialdehyde C
A tetracyclic triterpenoid that is lanosta-8,24-dien-26-al substituted by a beta-hydroxy group at position 3 and an oxo group at position 7. Isolated from Ganoderma lucidum and Ganoderma pfeifferi, it exhibits cytotoxic activity.
(1s,4s,5r,13r,17s)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-2,10-dione
5-(2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}propyl)-3-methyl-5h-furan-2-one
2-methyl-6-{7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}hept-2-enoic acid
5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
2-{[5-(2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)-3-methylpent-1-en-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2r,6r)-6-[(1r,3ar,5ar,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid
(3r,5s,6r,9r,14ar)-5,7-dihydroxy-3-[(2s,7r)-7-hydroxyoctan-2-yl]-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
1,3-dimethyl-7-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10-trien-1-yl)-2h-purin-6-one
(2r,3r,4r,5s)-2-{[(2r,4as,4br,7s,10as)-7-[(1r)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-2-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol
17β-hydroxy-3,11,16-trioxo-28-norolean-12-ene
{"Ingredient_id": "HBIN001995","Ingredient_name": "17\u03b2-hydroxy-3,11,16-trioxo-28-norolean-12-ene","Alias": "NA","Ingredient_formula": "C29H42O4","Ingredient_Smile": "CC1(CCC2(C(C1)C3=CC(=O)C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
