Exact Mass: 440.374
Exact Mass Matches: 440.374
Found 500 metabolites which its exact mass value is equals to given mass value 440.374,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Karounidiol
Karounidiol is an organic hydroxy compound. Karounidiol is a natural product found in Benincasa hispida, Trichosanthes dioica, and other organisms with data available.
beta-Amyrenonol
11-oxo-beta-amyrin is the pentacyclic triterpenoid that is the 11-oxo derivative of beta-amyrin. It is a pentacyclic triterpenoid and a cyclic terpene ketone. It is functionally related to a beta-amyrin. 11-Oxo-beta-amyrin is a natural product found in Canarium zeylanicum, Launaea arborescens, and other organisms with data available.
Soyasapogenol C
Constituent of soya bean saponin, green gram (Phaseolus radiatus), Trifolium repens (white clover) and other plants. Soyasapogenol C is found in many foods, some of which are herbs and spices, pulses, tea, and green vegetables. Soyasapogenol C is a triterpenoid. Soyasapogenol C is a natural product found in Glycine max, Medicago sativa, and other organisms with data available. See also: Trifolium pratense flower (part of). Soyasapogenol C is found in green vegetables. Soyasapogenol C is a constituent of soya bean saponin, green gram (Phaseolus radiatus), Trifolium repens (white clover) and other plants
Oleanolic aldehyde
Oleanolic aldehyde is found in common grape. Oleanolic aldehyde is found in grapes and olive Found in grapes and olives
Myricolal
Myricolal is found in herbs and spices. Myricolal is a constituent of Myrica gale (bog myrtle). Constituent of Myrica gale (bog myrtle). Myricolal is found in herbs and spices.
Sebiferic acid
Sebiferic acid is found in fats and oils. Sebiferic acid is a constituent of the bark of Sapium sebiferum (Chinese tallowtree). Constituent of the bark of Sapium sebiferum (Chinese tallowtree). Sebiferic acid is found in fats and oils.
28-Hydroxy-14-taraxeren-3-one
28-Hydroxy-14-taraxeren-3-one is found in fruits. 28-Hydroxy-14-taraxeren-3-one is isolated from Myrica rubra (Chinese bayberry). Isolated from Myrica rubra (Chinese bayberry). 28-Hydroxy-14-taraxeren-3-one is found in fruits.
3beta-Hydroxy-22(30)-hopen-29-al
3beta-Hydroxy-22(30)-hopen-29-al is found in fruits. 3beta-Hydroxy-22(30)-hopen-29-al is a constituent of Rhodomyrtus tomentosa (hill gooseberry).
Rofficerone
Rofficerone is found in herbs and spices. Rofficerone is a constituent of Rosmarinus officinalis (rosemary). Constituent of Rosmarinus officinalis (rosemary). Rofficerone is found in herbs and spices and rosemary.
Ganoderol B
Ganoderol B is found in mushrooms. Ganoderol B is a constituent of fungus Ganoderma lucidum (reishi). Constituent of fungus Ganoderma lucidum (reishi). Ganoderol B is found in mushrooms. Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1]. Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1].
4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol
This compound is a regulatory oxysterol which can alter HMG-CoA reductase activity when minor changes are made to its concentration. (PMID: 3654653) [HMDB] This compound is a regulatory oxysterol which can alter HMG-CoA reductase activity when minor changes are made to its concentration. (PMID: 3654653).
3beta-3-Hydroxy-18-lupen-21-one
Constituent of Taraxacum officinale (dandelion). 3beta-3-Hydroxy-18-lupen-21-one is found in many foods, some of which are alcoholic beverages, beverages, tea, and coffee and coffee products. 3beta-3-Hydroxy-18-lupen-21-one is found in alcoholic beverages. 3beta-3-Hydroxy-18-lupen-21-one is a constituent of Taraxacum officinale (dandelion)
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol is also known as 32-Ketolanosterol. 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol is considered to be practically insoluble (in water) and basic. 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol is a sterol lipid molecule
N-Stearoyl Arginine
N-stearoyl arginine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Stearic acid amide of Arginine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Stearoyl Arginine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Stearoyl Arginine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Olean-12-en-28-oic acid
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. Olean-12-en-28-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Olean-12-en-28-oic acid can be found in common sage, which makes olean-12-en-28-oic acid a potential biomarker for the consumption of this food product.
Sandalwood, yellow, oil (santalum album l.)
Extractives and their physically modified derivatives. Santalum album, Santalaceae. (SciFinder)
Santalol (alpha and beta)
Santalol (alpha and beta) is also known as santalol (alpha and beta). Santalol (alpha and beta) is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Santalol (alpha and beta) is a sweet, deep, and sandalwood tasting compound found in wild celery, which makes santalol (alpha and beta) a potential biomarker for the consumption of this food product. Santalol (alpha and beta) is also known as santalol (α and β). Santalol (alpha and beta) is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Santalol (alpha and beta) is a sweet, deep, and sandalwood tasting compound found in wild celery, which makes santalol (alpha and beta) a potential biomarker for the consumption of this food product.
Ursolic aldehyde
Ursolic aldehyde is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Ursolic aldehyde is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ursolic aldehyde can be found in common grape, which makes ursolic aldehyde a potential biomarker for the consumption of this food product.
14-oxolanosterol
14-oxolanosterol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 14-oxolanosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 14-oxolanosterol can be found in a number of food items such as common bean, corn salad, broccoli, and allium (onion), which makes 14-oxolanosterol a potential biomarker for the consumption of these food products.
4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol
4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol can be found in a number of food items such as highbush blueberry, rubus (blackberry, raspberry), nopal, and oil-seed camellia, which makes 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products.
Betunal
Lup-20(29)-en-28-al, 3beta-hydroxy- is a triterpenoid. Betulinaldehyde is a natural product found in Diospyros eriantha, Dillenia papuana, and other organisms with data available. Betulinaldehyde (Betunal) is a pentacyclic triterpene with activity against bacteria and fungi such as Staphylococcus aureus. Betulinaldehyde (Betunal) is a pentacyclic triterpene with activity against bacteria and fungi such as Staphylococcus aureus.
Olean-12-en-28-oic acid,3-[[O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[b-D-glucopyranosyl-(1?4)]-a-L-arabinopyranosyl]oxy]-23-hydroxy-, (3b,4a)-
Roburic acid
Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, an olefinic compound and a monocarboxylic acid. Roburic acid is a natural product found in Gentiana dahurica and Gentiana macrophylla with data available. Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1]. Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].
Roburic Acid
Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a tetracyclic triterpenoid, an olefinic compound and a monocarboxylic acid. Roburic acid is a natural product found in Gentiana dahurica and Gentiana macrophylla with data available. A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1]. Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, acts as an inhibitor of COX, with IC50s of 5 and 9 μM for COX-1 and COX-2, respectively[1].
Glochidonol
A pentacyclic triterpenoid that is lup-20(29)-ene substituted by a beta-hydroxy group at position 1 and an oxo group at position 3. It has been isolated from Breynia fruticosa.
Sebiferic acid
Ursolic aldehyde
Canophyllal
A pentacyclic triterpenoid with formula C30H48O2, originally isolated from the leaves of Syzygium formosanum.
24-Methylencholesterolacetat|24-Methylencholesterylacetat
12,15-Oleanadiene-3,28-diol|Aegiceradiol|Oleana-12,15-dien-3beta,28-diol, Aegiceradiol
3,4-seco-lupa-4(24),20(29)-dien-3-oic acid|canaric acid|canarsaeure
friedel-2,3-dione|Friedelaen-2,3-dion|Friedelan-2,3-dion|Friedelan-dion-(2,3)|Friedelandion-(2.3)|friedelanedione-(2.3)
fern-9(11)-en-28-ioc acid|fern-9(11)-en-28-oic acid
2,3-diketo-friedelin|3-hydroxy-D:A-friedoolean-3-en-2-one|3-Hydroxy-Delta3-friedelan-2-on|3-Hydroxy-friedel-3-en-2-on|3-hydroxy-friedel-3-en-2-one|3-Hydroxy-friedel-3-ene-2-one|3-Hydroxyfriedel-3-en-2-on|3-hydroxyfriedel-3-en-2-one|friedelane-2,3-dione
3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7-one
3-oxo-D:A-friedoleanan-29-al|3-oxofriedo-olean-29-al
4,23-Didehydro,3-Ketone-(3alpha,21alpha)-3,21-Friedelanediol
3,4-Seco-4(23),18-oleanadien-3-oic acid|3,4-seco-oleana-4(23),18-dien-3-oic acid|3,4-secooleana-4(23),18-dien-3-oic acid|seco-olean-4(23),18-dien-3-oic acid
(E)-ergosta-5,23-dienyl 3beta-acetate|24-methyl-23-dehydrocholesteryl acetate|24-methyl-E-23-dehydrocholesteryl acetate|24-methylcholesta-5,E-23-dien-3beta-yl acetate|ergosta-5,E-23-dien-3beta-yl acetate
3,4-seco-oleana-4(23),12-dien-3-oic acid|3,4-Seco-oleana-4(23),12-dien-3-saeure|3-Carboxy-3,4-seco-oleanadien-(4(23),12), Nyctanthinsaeure|Nyctanthic acid|Nyctanthinsaeure|nycthanthic acid|Nycthantinsaeure
11alpha-hydroxyurs-12-en-3-one|11beta-hydroxyurs-12-en-3-one
(6Z)-5-(23-cyano-6-tricosenyl)pyrrole-2-carboxaldehyde
5alpha,6-dihydroergosteryl acetate|ergosta-7,22-dien-3beta-yl acetate
3,4-Seco-4(23),9(11)-fernadien-3-oic acid|3,4-seco-8betaH-ferna-4(23),9(11)-dien-3-oic acid
24alpha-methylzymosterol acetate|lanosterol acetate|zymosterol acetate
15-Ketone-15-Hydroxy-3-friedelanone|3,15-Dioxofriedelan|3,15-dioxofriedelane|friedelan-3,15-dione|friedelane-3,15-dione
13beta,28-epoxy-3beta-hydroxy-olean-11-ene|13beta,28-epoxy-3beta-hydroxyolean-11-ene
24-methyl-5alpha-cholesta-7,E-23-dien-3beta-yl acetate|5alpha-ergosta-7,E-23-dien-3beta-yl acetate
(-)-(24R)-tirucalla-7,9(11),25-triene-3beta,24-diol
3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-Hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl)propanoic acid
24-Methylencholest-7-en-3beta-ol acetat(Episterol acetat)|3beta-Acetoxy-ergosta-7,24(28)-dien|3beta-Acetyloxy-24-methylen-cholest-7-en|Episterylacetat
11-oxo-alpha-amyrin|12-en-3beta-hydroxy-urs-11-one|3beta-hydroxy-11-oxours-12-ene|3beta-hydroxy-urs-12-en-11-one|3beta-hydroxy-ursen-(12)-one-(11)|Neoilexonol
D:A-friedo-3-oxo-oleanane-27-carbaldehyde|kokoonal
23-Hydroxy-7,24-tirucalladien-3-one|3-oxotirucalla-7,24-dien-23-ol
oleana-13(18),15(16)-diene-3beta,28-diol|Oleana-13(18),15-dien-3beta,28-diol|oleana-13(18),15-diene-3beta,28-diol
3beta-Hydroxycycloart-25-en-24-on|3beta-hydroxycycloart-25-en-24-one
24-methyl-24-dehydrocholesteryl acetate|24-methylcholesta-5,24-dien-3beta-yl acetate|24-Methylen-cholestadien-(5,24)-ol-(3beta)-acetat|Ergosta-5,24(25)-dien-3beta-yl-acetat|ergosta-5,24-dienyl 3beta-acetate
21beta-hydroxy-beta-amyrenone|21beta-hydroxy-beta-amyrinone|21beta-hydroxyolean-12-en-3-one
(3beta,16beta,23R)-16,23-Epoxycycloart-24-en-3-ol|(3S,16S,23R)-16,23-epoxycycloart-24-en-3-ol
(24xi)-24-methyl-5alpha-cholesta-8,14-dien-3beta-yl acetate
9,19-Cyclocholest-24-en-3-ol, 14-methyl-, acetate, (3.beta.,5.alpha.)-
1-oxo-3beta-hydroxyolean-18-ene
A pentacyclic triterpenoid that is olean-18-ene substituted by a beta-hydroxy group at position 3 and oxo group at position 1. It has been isolated from the leaves and twigs of Juglans sinensis.
3beta-hydroxy-4-methylene-24(S)-ethylcholest-8(9)-en-15-one|theonellasterol C
5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
3,4-secolanost-4(28),8,24-trien-3-oic acid|seco-coccinic acid G
7beta-Hydroxy-20(29)-lupen-3-one|7beta-hydroxylup-20(29)-en-3-one
24-hydroxydammara-20,25-dien-3-one|24?鈥?24-Hydroxydammara-20,25-dien-3-one
1,3-diketonfriedelane|1,3-Dioxo-friedelan|friedelane-1,3-dione
3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-11-one
ferna-7,9(11)-diene-3a,16a-diol|ferna-7,9(11)diene-3alpha,16alpha-diol
bauer-7,9(11)-diene-1alpha,3beta-diol|dehydroulmudiol
aglaiabbreviatin E
A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
3beta-Hydroxy-12-ketofern-9(11)-en|3beta-hydroxyfern-9(11)-en-12-one
aglaiabbreviatin D
A tetracyclic triterpenoid (dammarane type) isolated from the stems of Aglaia abbreviata.
24-(E)-3-oxo-dammara-20,24-dien-26-ol|26-Hydroxy-dammara-20,24-dien-3-one
16alpha-hydroxy-3-ketoisomultiflorene|16alpha-Hydroxy-8-multifloren-3-one
17beta,21beta-epoxyhopan-3-one
A hopanoid that is hopan-3-one substituted by an epoxy group across positions 17 and 21. It has been isolated from the bark of Cupania cinerea.
(24S)-24-Methyl-cholesta-5,25-dien-yl-acetat|24-methylcholesta-5,25-dien-3beta-yl acetate|codisterol acetate
3, 16-Friedelanedione|3,16-Dioxofriedelan|3,16-dioxofriedelane|maytensifolin B|maytensifolin-B
3-Hydroxylanosta-8,24-dien-21-al|3Beta-hydroxylanos-8,24-dien-21-al|3beta-hydroxylanosta-8,24-dien-21-al
3beta-Acetoxy-ergostadien-5,7|5,7-Ergostadienylacetat|Ergosta-5,7-dien-3beta-yl-acetat|Ergosta-5,7-dien-3beta-ylacetat|Ergosterin-acetat
15alpha-Hydroxy-olean-12-en-3-on|3-Ketone-(3beta,15alpha)-12-Oleanene-3,15-diol
4alpha-formyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol
Kulinone
Kulinone is a triterpenoid. It has a role as a metabolite. Kulinone is a natural product found in Azadirachta indica, Melia azedarach, and Melia dubia with data available. A natural product found in Melia toosendan.
11-Oxo-α-amyrin
11-Oxo-|A-amyrin is a natural product found in Boswellia sacra, Saussurea hieracioides, and other organisms with data available.
Ganodermadiol
Ganoderol B is a tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. It has a role as a hepatoprotective agent, an antiviral agent and a fungal metabolite. It is a 3beta-sterol, a primary allylic alcohol and a tetracyclic triterpenoid. It derives from a hydride of a lanostane. ganoderol B is a natural product found in Ganoderma pfeifferi, Ganoderma tsugae, and other organisms with data available. A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1]. Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1].
Betulone
Betulone is a triterpenoid. It has a role as a metabolite. It derives from a hydride of a lupane. Betulone is a natural product found in Euonymus carnosus, Salacia chinensis, and other organisms with data available. A natural product found in Cupania cinerea.
26,27-Dihomo-1α-hydroxyvitamin D2
26,27-Dihomo-1α-hydroxy-24-epivitamin D2
4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol
Oleanolic aldehyde
A pentacyclic triterpenoid and hydroxyaldehyde that is erythrodiol in which the primary hydroxy group at position 28 has been oxidised to the corresponding aldehyde. It is found in grapes and olives.
Ganoderol B
Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1]. Ganoderol B is a potent α-glucosidase inhibitor. Ganoderol B has high α-glucosidase inhibition with an IC50 of 48.5 μg/mL (119.8 μM)[1].
3beta-3-Hydroxy-18-lupen-21-one
3b-Hydroxy-22(30)-hopen-29-al
Miricolone
Rofficerone
26,27-Dihomo-1alpha-hydroxyvitamin D2
26,27-Dihomo-1alpha-hydroxy-24-epivitamin D2
rubiyunnanol B
A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
rubiyunnanol A
A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
7-Oxo-10alpha-cucurbitadienol
A tetracyclic triterpenoid that is the 7-oxo derivative of cucurbitadienol. Isolated from Trichosanthes kirilowii, it exhibits anti-inflammatory activity.
4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol
4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol can be found in a number of food items such as highbush blueberry, rubus (blackberry, raspberry), nopal, and oil-seed camellia, which makes 4alpha-formyl-stigmasta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products. 4α-formyl-stigmasta-7,24(241)-dien-3β-ol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 4α-formyl-stigmasta-7,24(241)-dien-3β-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4α-formyl-stigmasta-7,24(241)-dien-3β-ol can be found in a number of food items such as highbush blueberry, rubus (blackberry, raspberry), nopal, and oil-seed camellia, which makes 4α-formyl-stigmasta-7,24(241)-dien-3β-ol a potential biomarker for the consumption of these food products.
(4aR,6aS,6bR,10S,12aS)-10-hydroxy-2,2,4a,6a,6b,9,9,12a-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
11-Oxocucurbitadienol
A tetracyclic triterpenoid that is cucurbitadienol in which the methylene hydrogens at position 11 have been replaced by an oxo group.
(4Z,8Z,12Z,16Z,20Z)-4,8,12,16,20-pentamethyl-24-oxopentacosa-4,8,12,16,20-pentaenal
[3-carboxy-2-[(E)-nonadec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-nonadec-10-enoyl]oxypropyl]-trimethylazanium
(E)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(E)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
(-)-Duryne
An enyne that is (4E,15Z,26E)-triaconta-4,15,26-triene-1,29-diyne substituted by hydroxy groups at positions 3 and 28 (the 3R,28R-stereoisomer). It has been isolated from the marine sponge Petrosia.
21beta-Hydroxyolean-12-en-3-one
A pentacyclic triterpenoid that is olean-12-ene substituted by an oxo substituent at position 3 and a beta-hydroxy group at position 21. Isolated from the root barks of Hippocratea excelsa, it exhibits antigiardial activity.
4alpha-Formyl-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol
[3-carboxy-2-[10-[(1R)-2-hexylcyclopropyl]decanoyloxy]propyl]-trimethylazanium
Sapogenol C
Soyasapogenol C is a triterpenoid. Soyasapogenol C is a natural product found in Glycine max, Medicago sativa, and other organisms with data available. See also: Trifolium pratense flower (part of).
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta-ol
10-Hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carbaldehyde
(12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid
A very long-chain omega-3 fatty acid that is triacontahexaenoic acid having six double bonds located at positions 12, 15, 18, 21, 24 and 27 (the 12Z,15Z,18Z,21Z,24Z,27Z-isomer).
3a,9a,11a-trimethyl-1-(6-methylhept-5-en-2-yl)-1h,2h,3h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
3-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1h-picen-2-one
16-(9a-methyl-1,2,4a,9-tetrahydroxanthen-3-yl)hexadecan-1-ol
(4as,6as,6br,8ar,10s,12ar,12br,14br)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carbaldehyde
7-hydroxy-3a,6,9a,11a-tetramethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one
(1r,3as,3br,4s,7s,9as,9bs,11ar)-3a,6,6,9b,11a-pentamethyl-1-[(2r,4e)-6-methylhepta-4,6-dien-2-yl]-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene-4,7-diol
2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-5-(prop-1-en-2-yl)cyclopentan-1-ol
(3r,4as,6ar,6bs,8ar,12ar,14as,14br)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-3,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-2h-picen-1-one
(1s,3bs,5as,7r,9as,9br,11as)-1,6,6,9a,11a-pentamethyl-1-[(2r,3z)-6-methylhepta-3,5-dien-2-yl]-2h,3bh,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-7,9b-diol
8-hydroxy-4,4,6b,8a,11,11,12b,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,13,14-dodecahydro-1h-picen-3-one
(2r)-2-[(1r,3ar,5ar,5br,7ar,11ar,11br,13ar,13br)-3a,5a,5b,8,8,11a-hexamethyl-9-oxo-tetradecahydro-1h-cyclopenta[a]chrysen-1-yl]propanal
(1r,3ar,5as,7s,9as,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
(4as,6br,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carbaldehyde
(1r,3ar,5ar,7s,9as,9br,11ar)-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
1-(1-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol
15-(4-hydroxy-6-methylhept-5-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
12-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,7h,7ah,9h,10h,11h,12h,13h,13bh-cyclopenta[a]chrysen-6-one
3a-(hydroxymethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
1-(7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,3r,8r,11s,12s,14s,15r,16r)-14-hydroxy-7,7,12,16-tetramethyl-15-[(2r)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(3s,6r,11r,12r,15s,16r,19r,21r)-19-hydroxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-en-8-one
3-[(1r,4s,5s,8r,9r,12r,13s)-4,8-dimethyl-5-[(2s)-6-methylhept-5-en-2-yl]-12-(prop-1-en-2-yl)tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoic acid
(4ar,6ar,6bs,8as,11s,12r,12ar,14ar,14br)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1h-picen-3-one
(3s,4e,15z,26e,28s)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
(4as,5s,8ar)-5-{2-[(1s,4ar,6s,8as)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylidene-hexahydronaphthalen-2-one
9-hydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,5bh,6h,7h,7ah,9h,10h,11h,13bh-cyclopenta[a]chrysen-13-one
(1s,3ar,3br,5ar,9ar,9bs,11ar)-1-{4-[(2s)-3,3-dimethyloxiran-2-yl]but-1-en-2-yl}-3a,3b,6,6,9a-pentamethyl-dodecahydrocyclopenta[a]phenanthren-7-one
3-[(3r,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-6,9a,9b,11a-tetramethyl-3,7-bis(prop-1-en-2-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-6-yl]propanoic acid
2-{6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl}-6-methylhept-5-enal
(1r,3s,3ar,5ar,7s,9as,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,7-diol
7-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1h-picen-3-one
2-{7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methylhept-5-enal
(4r,4ar,6ar,6br,8ar,12bs,14ar,14br)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12b,13,14,14a-dodecahydro-1h-picen-3-one
(4as,6ar,6br,8ar,12ar,14as,14br)-6b-(hydroxymethyl)-4,4,6a,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1h-picen-3-one
1-(3-hydroxy-6-methyl-5-methylideneheptan-2-yl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol
(6r)-6-[(1s,3as,5ar,7s,9ar,9br,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-en-4-one
(3s,4as,6ar,6bs,8ar,12ar,14ar,14br)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,6,7,8,9,10,12,12a,14,14a-dodecahydro-1h-picen-5-one
(3s,6r,11r,12s,15s,16r,19s,21r)-19-hydroxy-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-1(23)-en-8-one
(4r,4as,6ar,6br,8ar,12as,12bs,14as,14bs)-4,4a,6b,8a,11,11,12b,14a-octamethyl-tetradecahydropicene-3,14-dione
3a,6,6,9a,11a-pentamethyl-1-(6-methyl-4-oxoheptan-2-yl)-1h,2h,3h,3bh,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-7-one
(1r,3as,5ar,5br,7as,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
(1r,3ar,5as,7s,9as,11ar)-1-[(2r,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol
(1r,3ar,5ar,9ar,9bs,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2r)-6-methyl-4-oxoheptan-2-yl]-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(4as,6as,6br,8as,12as,12br,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
2-[(3ar,5ar,5br,7ar,11ar,11br,13ar,13bs)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-hexadecahydrocyclopenta[a]chrysen-1-yl]prop-2-enal
(3r,4ar,6bs,8as,11r,12ar,12bs,14bs)-11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,7,8,9,10,12,12a,13,14-dodecahydropicen-3-ol
3-[1,4a,4b,6a,9,9-hexamethyl-2-(prop-1-en-2-yl)-3,4,5,6,7,8,10b,11,12,12a-decahydro-2h-chrysen-1-yl]propanoic acid
3-[1-isopropyl-3b,6,9b,11a-tetramethyl-7-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,7h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthren-6-yl]propanoic acid
(1r,3ar,5as,6s,7s,9as,11ar)-7-hydroxy-3a,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(1s,3r,8r,11r,12s,15r,16r)-15-[(2r,4e)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
4,4a,6b,8a,11,11,12b,14a-octamethyl-tetradecahydropicene-2,3-dione
(1s,3as,5ar,7s,9as,11as)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1-[(2s)-6-methylhept-5-en-2-yl]-1h,2h,3h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
(18z)-24-(5-formyl-1h-pyrrol-2-yl)tetracos-18-enenitrile
(1s,4s,5r,8r,10s,13s,14r,17s,18r,19s,20r)-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-ol
(1s,3ar,5ar,7s,9as,11ar)-1-[(2s,5e)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol
(1r,3ar,5as,6s,7s,9as,11ar)-7-hydroxy-3a,6,9a,11a-tetramethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-10-one
(1r,3as,4s,5ar,5br,7ar,11ar,11br,13ar,13br)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
(2r,4r,6r,8r,9r,10r,14s,17s,19r)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-1(13)-en-17-ol
1-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-3a,3b,6,6,9a-pentamethyl-dodecahydrocyclopenta[a]phenanthren-7-one
(1s,6s,11r,12r,15s,16r,19s,21r)-19-hydroxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-en-8-one
(1r,3ar,5as,7s,9as,11ar)-3a,9a,11a-trimethyl-1-[(2r)-6-methylhept-5-en-2-yl]-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
11-oxo-β-Amyrin
{"Ingredient_id": "HBIN000503","Ingredient_name": "11-oxo-\u03b2-Amyrin","Alias": "NA","Ingredient_formula": "C30H48O2","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
14-methylmangiferolic aldehyde
{"Ingredient_id": "HBIN001532","Ingredient_name": "14-methylmangiferolic aldehyde","Alias": "14-methylmangiferolicaldehyde","Ingredient_formula": "C30H48O2","Ingredient_Smile": "CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31658;14568","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16β-hydroxy-dammara-20(22),25-dien-3-one
{"Ingredient_id": "HBIN001832","Ingredient_name": "16\u03b2-hydroxy-dammara-20(22),25-dien-3-one","Alias": "NA","Ingredient_formula": "C30H48O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16beta-hydroxy-dammare-20(22),25-dien-3-one
{"Ingredient_id": "HBIN001833","Ingredient_name": "16beta-hydroxy-dammare-20(22),25-dien-3-one","Alias": "NA","Ingredient_formula": "C30H48O2","Ingredient_Smile": "CC(=C)CCC=C(C)C1C2CCC3C4(CCC(=O)C(C4CCC3(C2(CC1O)C)C)(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31172","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
