Exact Mass: 258.0896138
Exact Mass Matches: 258.0896138
Found 402 metabolites which its exact mass value is equals to given mass value 258.0896138,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Yangonin
Yangonin is a member of 2-pyranones and an aromatic ether. Yangonin is a natural product found in Piper methysticum, Ranunculus silerifolius, and Piper majusculum with data available. See also: Piper methysticum root (part of). Yangonin is found in beverages. Yangonin is found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava root (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively. Yangonin exhibits affinity for the human recombinant cannabinoid CB1 receptor with an IC50 and a Ki of 1.79 μM and 0.72 μM, respectively.
Wyerone
Constituent of broad bean seedlings (Vicia faba) infected with Botrytis subspecies Wyerone is found in lentils, pulses, and broad bean. Wyerone is found in broad bean. Wyerone is a constituent of broad bean seedlings (Vicia faba) infected with Botrytis species
Peucedanin
Peucedanin, also known as 2-isopropyl-3-methoxy-7h-furo[3,2-g]chromen-7-one or 4-methoxy-5-isopropylfuro(2,3:6,7)coumarin, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Peucedanin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Peucedanin can be found in carrot, chervil, and wild carrot, which makes peucedanin a potential biomarker for the consumption of these food products. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Davidigenin
A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2, and 4 respectively.
Lunularic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Xanthoxyletin
Xanthoxyletin is a member of coumarins. It has a role as a metabolite. Xanthoxyletin is a natural product found in Zanthoxylum dipetalum, Murraya siamensis, and other organisms with data available. Isolated from Zanthoxylum americanum (prickly ash). Xanthoxyletin is found in lemon, sweet orange, and herbs and spices. Xanthoxyletin is found in herbs and spices. Xanthoxyletin is isolated from Zanthoxylum americanum (prickly ash). A natural product found in Clausena harmandiana.
Demethylvestitol
Isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). Demethylvestitol is found in many foods, some of which are green bean, scarlet bean, common bean, and pulses. Demethylvestitol is found in common bean. Demethylvestitol is isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Rhapontigenin
Rhapontigenin is found in garden rhubarb. Rhapontigenin is isolated from rhizomes of Rheum undulatum (rhubarb) 4-Guanidinobutanoate is a normal metabolite present in low concentrations. Patients with hyperargininemia have an arginase deficiency which leads to blockade of the urea cycle in the last step with several clinical symptoms. Owing to the arginase deficiency this patients accumulate arginine which leads eventually to epileptogenic guanidino compounds (PMID 7752905 Isolated from rhizomes of Rheum undulatum (rhubarb) Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
(2S,3R,4R)-3,4,4'-Trihydroxyflavan
(2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits. (2S,3R,4R)-3,4,4-Trihydroxyflavan is a constituent of the seeds of Musa sapientum (banana). Constituent of the seeds of Musa sapientum (banana). (2S,3R,4R)-3,4,4-Trihydroxyflavan is found in fruits.
5-Methoxyseselin
Consit. of Citrus grandis (pummelo). 5-Methoxyseselin is found in citrus. 5-Methoxyseselin is found in citrus. Consit. of Citrus grandis (pummelo
O-Desmethylangolensin
O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823) [HMDB] O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90\\\% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism. (PMID: 18326607, 17506823). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Archangin
Archangin is found in fats and oils. Archangin is from Angelica archangelica (angelica
Acetomenaphthone
Acetomenaphthone is a synthetic vitamin. Synthetic vitamin
3',4',7-Trihydroxyisoflavan
3,4,7-Trihydroxyisoflavan is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3'-Hydroxyequol
3-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
cis-4-Hydroxyequol
cis-4-Hydroxyequol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
3-(4-Hydroxyphenyl)-3,5,6,8-tetrahydro-2H-chromene-4,7-dione
Braylin
Braylin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Braylin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Braylin can be found in lemon, mandarin orange (clementine, tangerine), and sweet orange, which makes braylin a potential biomarker for the consumption of these food products.
Isorhapontigenin
Isorhapontigenin is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Isorhapontigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Isorhapontigenin can be found in garden rhubarb, which makes isorhapontigenin a potential biomarker for the consumption of this food product. Isorhapontigenin is a tetrahydroxylated stilbenoid with a methoxy group. It is an isomer of rhapontigenin and an analog of resveratrol. It is found in the Chinese herb Gnetum cleistostachyum, in Gnetum parvifolium and in the seeds of the palm Aiphanes aculeata . Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Prangone
Murrayone is a natural product found in Murraya exotica and Murraya paniculata with data available. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1]. Murrayone, a coumarin-containing compound extracted from?M. paniculata,?is the most bioactive substance in this species and is a cancer metastasis chemopreventive agent based on its unique pharmacological properties[1].
Isorhapontigenin
Isorhapontigenin is a stilbenoid. Isorhapontigenin is a natural product found in Smilax corbularia, Aiphanes horrida, and other organisms with data available. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2]. Isorhapontigenin, an orally bioavailable dietary polyphenol isolated from the Chinese herb Gnetum cleistostachyum, displays anti-inflammatory effects. Isorhapontigenin induces autophagy and inhibits invasive bladder cancer formation[1][2].
Rhapontigenin
Rhapontigenin is a stilbenoid. Rhapontigenin is a natural product found in Rheum undulatum, Gnetum hainanense, and other organisms with data available. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1]. Rhapontigenin is a natural analog of resveratrol with anticancer, antioxidant, antifungal and antibacterial activities. Rhapontigenin is amechanism-based, potent and selective cytochrome P450 1A1?inactivator (IC50 ?= 400 nM). Rhapontigenin exhibits 400-fold and 23-fold selectivity for P450 1A1 over P450 1A2 and P450 1B1, respectively[1].
4-Hydroxy-3-(4-hydroxybenzyl)-5-methoxybenzaldehyde
Demethylvestitol
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
3-Hydroxy-beta-lapachone
[Raw Data] CB127_3-Hydroxylapachone_pos_50eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_40eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_30eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_20eV_CB000045.txt [Raw Data] CB127_3-Hydroxylapachone_pos_10eV_CB000045.txt
Ononetin
1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is a stilbenoid. Ononetin, a natural deoxybenzoin, is a potent and selective TRPM3 channel blocker with an IC50 of 0.3 μM[1].
2-hydroxy-3-( 4-hydroxy-3-methyl-2-butenyl)-1,4-naphthoquinone
2-methoxy-3,4,3-trihydroxystilbene|3,3,4-trihydroxy-2-methoxy-trans-stilbene
6-(3,4-Dimethoxy-trans-styryl)-2-pyron|6-(3,4-Dimethoxystyryl-)2-pyron
Ac-(Z)-7-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-8-en-3-ol
4,8,9-Trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
Di-Ac-2-(3-Methyl-3-buten-1-ynyl)-1,4-benzenediol,9CI
4-Oxo-5,6,9,10-tetradehydro-4,5-secofuranoeremophilan-5,1-carbolacton
Naphtho(1,2-b)furan-4,5-dione, 2,3-dihydro-6-hydroxy-2,3,3-trimethyl-
2-(2-Methoxyisopropyl)psoralen|2-(1-methoxy-1-methyl-ethyl)-furo[3,2-g]chromen-7-one|dehydromarmesin methyl ether
(3aS*,5S*,7aR*)-5-benzoyloxy-3a,4,5,7a-tetrahydro-3H-benzofuran-2-one|miliusolide
2-Methoxy-6-(4-methoxy-trans-styryl)-pyran-4-on|2-methoxy-6-(4-methoxy-trans-styryl)-pyran-4-one|2-methoxy-6-<2-(4-methoxyphenyl)ethenyl>pyran-4-one
Braylin
Braylin is a natural product found in Geleznowia verrucosa, Pitavia punctata, and other organisms with data available.
2,5,7-trihydroxy-4-methoxy-9,10-dihydrophenanthrene|7-methoxy-9,10-dihydrophenanthrene-2,4,5-triol
(+)-9-demethyleleutherin|(1R,3S)-9-hydroxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|3,4-dihydro-9-hydroxy-1,3-dimethyl-1H-naphtho[2,3-c]pyran-5,10-dione|8-desmethyleleutherin
5-methoxy-4,7,9S-trihydroxy-9,10-dihydrophenanthrene
(2S)-2,3-dihydro-6-hydroxy-2,3,3-trimethylnaphto[2,3-b]furan-4,9-dione|(2S)-6-hydroxy-alpha-dunnione
2,5-Dimethyl-8,10-dihydroxy-2,3-dihydro-4H-naphtho[1,2-b]pyran-4-one
6-methoxy-8-(prop-1-en-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one|hedyotiscone A
Plicatol_C
Rotundatin is a natural product found in Dendrobium plicatile with data available.
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
C15H14O4_1-(2,5-Dihydroxy-2-methyl-2,3-dihydrobenzo[de]chromen-4-yl)ethanone
2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-2-enal
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
Peucedanin
A member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Origin: Plant, Coumarins
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based: Match]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000846301]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based on: CCMSLIB00000848780]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000848039]
10-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847475]
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one [IIN-based: Match]
5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
2,2-Dimethyl-5-oxo-2,3,4,5-tetrahydroindeno[1,2-b]pyran-6-carboxylic acid
O-Demethylangolesin
O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
Benzoic acid,2-hydroxy-4-(phenylmethoxy)-, methyl ester
1,4-Methanonaphthalene-5,8-diol,1,4-dihydro-, 5,8-diacetate
(2-HYDROXY-4-(2-HYDROXYETHOXY)PHENYL)(PHENYL)METHANONE
2,5-DIHYDRO-2-OXO-5-PHENYL-5-(2-PROPENYL)-3-FURANCARBOXYLIC ACID, METHYL ESTER
5-[(Z)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]resorcinol
84-99-1
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Wyerone
(3R)-7-hydroxy-alpha-dunnione
A natural product found in Streptocarpus dunnii.
1-(2,5-Dihydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
O-Desmethylangolensin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity[1][2].
(2r)-2,6,9-trihydroxy-8-methyl-3,4-dihydro-2h-anthracen-1-one
4-[2-(3-hydroxyphenyl)ethenyl]-3-methoxybenzene-1,2-diol
(2s)-7-hydroxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
1-{3,7-dihydroxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-6-yl}ethanone
2-[(1r)-7-hydroxy-5-methyl-1,3-dihydro-2-benzofuran-1-yl]benzene-1,3-diol
(1as,7ar)-3-hydroxy-1a-(3-methylbut-2-en-1-yl)-7ah-naphtho[2,3-b]oxirene-2,7-dione
8-[(1e)-4-hydroxy-3-methylidenebut-1-en-1-yl]-7-methoxychromen-2-one
6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4h-1-benzofuran-2-one
(9s)-4-methoxy-9,10-dihydrophenanthrene-2,5,9-triol
8-(4-hydroxy-3-methylidenebut-1-en-1-yl)-7-methoxychromen-2-one
6-hydroxy-2,3,3-trimethyl-2h-naphtho[1,2-b]furan-4,5-dione
3'-methoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-3'-ene-2',5'-dione
6-hydroxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
(4s)-4-hydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
5-hydroxy-2,8,8-trimethylpyrano[2,3-h]chromen-4-one
(8as)-3-(hydroxymethyl)-5,8a-dimethyl-8h-naphtho[2,3-b]furan-2,7-dione
(s)-(4-methoxy-2h-1,3-benzodioxol-5-yl)(phenyl)methanol
(4s)-4,8,9-trihydroxy-6-methyl-3,4-dihydro-2h-anthracen-1-one
(4r)-4,8,9-trihydroxy-6-methyl-3,4-dihydro-2h-anthracen-1-one
4-methoxy-9,10-dihydrophenanthrene-2,3,7-triol
{"Ingredient_id": "HBIN010626","Ingredient_name": "4-methoxy-9,10-dihydrophenanthrene-2,3,7-triol","Alias": "NA","Ingredient_formula": "C15H14O4","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)CCC3=CC(=C(C=C32)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
{"Ingredient_id": "HBIN013600","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C15H14O4","Ingredient_Smile": "NA","Ingredient_weight": "258.27","OB_score": "NA","CAS_id": "85799-14-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7386","PubChem_id": "NA","DrugBank_id": "NA"}