Exact Mass: 308.1263914
Exact Mass Matches: 308.1263914
Found 500 metabolites which its exact mass value is equals to given mass value 308.1263914,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Warfarin
Warfarin is an anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-
Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
Cornexistin
Monocerin
A natural product found in Colletotrichum species.
C.I. Solvent Red 80
Colourant for orange skins. Allowed on fruit which is not to be processed. Use prohibited in orange peel for human consumption. Colourant for orange skins. Allowed on fruit which is not to be processed. Use prohibited in orange peel for human consumption
warfarin
A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals Warfarin is a rodenticide used in the home, outdoors, in food service establishments, near fruit trees, in storage buildings, sewers and other places where rodents may be a problem. This white, odorless, tasteless compound, an anti-coagulant, causes bleeding and blood-thinning. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4694; ORIGINAL_PRECURSOR_SCAN_NO 4690 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4675 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4690; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4734; ORIGINAL_PRECURSOR_SCAN_NO 4730 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4721 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9135; ORIGINAL_PRECURSOR_SCAN_NO 9131 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9068; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9082; ORIGINAL_PRECURSOR_SCAN_NO 9080 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9187; ORIGINAL_PRECURSOR_SCAN_NO 9186 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9209; ORIGINAL_PRECURSOR_SCAN_NO 9207 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9110; ORIGINAL_PRECURSOR_SCAN_NO 9108 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4716 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4719 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4744 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4738; ORIGINAL_PRECURSOR_SCAN_NO 4733 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4832; ORIGINAL_PRECURSOR_SCAN_NO 4831 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4726; ORIGINAL_PRECURSOR_SCAN_NO 4723 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9104 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9163; ORIGINAL_PRECURSOR_SCAN_NO 9159 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9170; ORIGINAL_PRECURSOR_SCAN_NO 9166 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9145; ORIGINAL_PRECURSOR_SCAN_NO 9142 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9185; ORIGINAL_PRECURSOR_SCAN_NO 9180 CONFIDENCE standard compound; INTERNAL_ID 2415 CONFIDENCE standard compound; INTERNAL_ID 4042 CONFIDENCE standard compound; INTERNAL_ID 8347 INTERNAL_ID 4042; CONFIDENCE standard compound
Bisdemethoxycurcumin
Bisdemethoxycurcumin is a curcuminoid, a component of tumeric. Tumeric is a spice that comes from the root Curcuma longa, a member of the ginger family, Zingaberaceae. It is bright yellow and has been used as a coloring agent in food in the United States. In India, it has been used for centuries as a spice and a food preservative, and also for its various medicinal properties. In Ayurveda (Indian traditional medicine), tumeric has been used for its medicinal properties for various indications and through different routes of administration. It has been used topically on the skin for wounds, blistering diseases such as pemphigus and herpes zoster, for parasitic skin infections, and for acne. It has been used via oral administration for the common cold, liver diseases, urinary tract diseases, and as a blood purifier. For chronic rhinitis and coryza, it has been used via inhalation. The average intake of tumeric in the diet in India is approximately 2 to 2.5 g in a 60 kg individual. This corresponds to an intake of approximately 60 to 100 mg of curcumin daily. The Food and Drug Administration has classified tumeric among substances Generally Recognized as Safe (GRAS). A large number of in vitro and animal studies have been conducted to evaluate the effect of curcumin on inflammation. It has been found to act at various different levels of the arachadonic acid inflammatory cascade and through effects on various enzymes and cytokines. (PMID: 12676044). Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a beta-diketone, a polyphenol, an enone and a diarylheptanoid. It is functionally related to a 4-coumaric acid. Bisdemethoxycurcumin is a natural product found in Curcuma amada, Curcuma kwangsiensis, and other organisms with data available. A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. Isolated from Curcuma zedoaria (zedoary) and Curcuma longa (turmeric) (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
Moracin D
Moracin D is a member of benzofurans. Moracin D is a natural product found in Morus alba var. multicaulis, Broussonetia papyrifera, and other organisms with data available. Moracin D is found in fruits. Moracin D is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin D is found in mulberry and fruits.
Moracin G
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin G is found in mulberry and fruits. Moracin G is found in fruits. Moracin G is isolated from Morus alba (white mulberry) infected with Fusarium solani.
8-Acetylegelolide
8-Acetylegelolide is found in herbs and spices. 8-Acetylegelolide is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). 8-Acetylegelolide is found in herbs and spices.
Glyinflanin H
Glyinflanin H is found in herbs and spices. Glyinflanin H is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). Glyinflanin H is found in tea and herbs and spices.
Kanzonol U
Kanzonol U is found in herbs and spices. Kanzonol U is a constituent of Glycyrrhiza glabra (licorice)
Azacridone A
Azacridone A is found in citrus. Azacridone A is an alkaloid from roots of Citrus paradisi (grapefruit). Alkaloid from roots of Citrus paradisi (grapefruit). Azacridone A is found in citrus.
2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium
2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium is a maillard product from reaction of L-proline and 2-Furancarboxaldehyde
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. Isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits.
Mono-(2-ethyl-5-carboxypentyl) phthalate
Mono-(2-ethyl-5-carboxypentyl) phthalate is also known as 2-ethyl-5-carboxypentyl phthalate, MECPP or phthalate, mono(5-carboxy-2-ethylpentyl) ester. It is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono-(2-ethyl-5-carboxypentyl) phthalate is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer). It is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP).
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
C19H20N2S (308.13471200000004)
Delpazolid
5'-N-Ethylcarboxamidoadenosine
Penilloic acid
2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
C16H16N6O (308.13855259999997)
Linomide
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors
Toddaline
Toddalolactone is a natural product found in Zanthoxylum asiaticum with data available. Toddalolactone, a main component of Toddalia asiatica, inhibits the activity of recombinant human plasminogen activator inhibitor-1 (PAI-1), with an IC50 value of 37.31 μM[1]. Toddalolactone, a main component of Toddalia asiatica, inhibits the activity of recombinant human plasminogen activator inhibitor-1 (PAI-1), with an IC50 value of 37.31 μM[1].
Toddalolactone
Toddalolactone is a natural product found in Zanthoxylum asiaticum with data available. Toddalolactone, a main component of Toddalia asiatica, inhibits the activity of recombinant human plasminogen activator inhibitor-1 (PAI-1), with an IC50 value of 37.31 μM[1]. Toddalolactone, a main component of Toddalia asiatica, inhibits the activity of recombinant human plasminogen activator inhibitor-1 (PAI-1), with an IC50 value of 37.31 μM[1].
2,4-Dihydroxy-3-(1,1-dimethyl-2-propenyl)chalcone
1-Acetonyl-7-carboxyl-6,8-dihydroxy-3,4,5-trimethylisochroman
Bisdemethoxycurcumin
(E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
nifenazone
C17H16N4O2 (308.12731959999996)
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
1,2,3,4-tetrahydro-6,7-dihydroxy-1-(4-hydroxycinnamylidene)naphthalen-2-one
2-Allyl-3,6-dihydroxy-7,8-dimethyl-1,4-phenanthrenedione #
1beta-acetonyl-7-carboxyl-6,8-dihydroxy-3alpha,4beta,5-trimethylisochroman
2-(1,3-Benzodioxole-5-yl)-3-methyl-5-(2-oxopropyl)benzofuran
(2-Methyl-2-propyl-propan-1,3-diol)-D(?)-glucuronid|<2-Methyl-2-propyl-propan-1,3-diol>-D(?)-glucuronid
Asnipyrone B
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Benzyl glycoside,2,3-O-isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
4-Methylbenzenesulfonyl-3,3-Dimethylbicyclo[2.2.1]heptane-2-methanol
C17H24O3S (308.14460740000004)
methyl (3S,5S)-5-hydroxy-3-(beta-D-glucopyranosyl)-hexanoate
pantocin A
A member of the class of indolizines that is 3,5,6,7-tetrahydroindolizine which carries a 2-aminoacyl-4-amino-4-oxobutanoic acid, oxo, amino groups at positions 3S, 5 and 6S, respectively. It is a ribosomally encoded and post-translationally modified peptide natural product found in several species of the Pantoea genus and derived from a Glu-Glu-Asn precursor peptide.
(3Z,11Z,13E,7S*,9S*,10R*)-9-acetoxy-6-chloro-7:10-epoxypentadeca-3,11,13-trien-1-yne
C17H21ClO3 (308.11791460000006)
5-Hydroxyasperentin
A member of the class of isocoumarins that is asperentin substituted by an additional hydroxy group at position 5. It has been isolated from Chaetomium globosum and Aspergillus flavus.
Multiorthoquinone
A diterpenoid that is phenanthrene-3,4-dione substituted by a methoxy group at position 6, a methyl groups at positions 7 and 8 and an isopropyl group at position 2. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity.
12b-hydroxydecahydro-3aH-[1]benzofuro[3a,4-b]furo[2,3-g][1]benzofuran-5,7(2H,4H)-dione|incarviditone
Mexoticin
8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one is a natural product found in Murraya alata, Murraya caloxylon, and other organisms with data available.
3-Acetamido-3-deoxyadenosin|3-acetylamino-3-deoxy-adenosine
2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde|3-formyl-2-(4-hydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
(2E,8Z)-decadiene-4,6-diyn-1-ol-1-O-beta-D-glucopyranoside
5-(3,3-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid
(E)-9-(4-hydroxy-3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid|endophenazine A1
6R-[(5S,6S-diacetoxy)-1Z,3E-heptenyl]-5,6-dihydro-2H-pyran-2-one
(E)-6-(3-hydroxy-3-methylbut-1-en-1-yl)phenazine-1-carboxylic acid|endophenazine G
Isobutyric acid 2-methoxy-4-[3-(acetoxymethyl)oxiranyl]phenyl ester
(2S)-5-hydroxy-2-(cis-1,4-dihydroxycyclohexyl)-7-methoxychroman-4-one|(2S)-cis-4-hydroxy-ongokein
6-(3-Hydroxy-3-methyl-1-butenyl)-1-phenazinecarboxylic acid
4-methoxymagnaldehyde B|5-allyl-2-hydroxyphenyl-4-methoxy-3-cinnamic aldehyde
4-hydroxy-2,2-dimethyl-pyranoflavan|4-hydroxy-7,8-(2,2-dimethylpyran)flavan
4a,7,7a,11,11a,13,14,14a-octahydro-7a,14a-dihydroxydibenzo[b,g][1,6]dioxecine-3,10(4H,6H)-dione|clerodenone A
3-Methylene-4-(1-hydroxy-3-oxobutyl)-5-(2-methyl-3-methoxy-5-oxo-1-cyclopentenyl)tetrahydrofuran-2-one
methyl gamma-methyl-delta-hydroxy-pentanoic acid beta-D-glucopyranoside
5-Allyl-2-(4-methoxyphenyl)-7-methoxy-3-methylbenzofuran
(E)-2-(4-methoxyphenyl)-7-methoxy-3-methyl-5-(prop-1-en-1-yl)benzofuran|eupomatenoid 16|eupomatenoid-16
7-ethoxy-7H,14H-phthalazino[2,3-b]phthalazine-5,12-dione|7-Ethoxyphthalazino<2,3-b>-phthalazin-5,12(7H,14H)dion|phthalazino(2,3-b) phthalazine-7-ethoxy-5,12-dione
Alpinoid D
Alpinoid D is a natural product found in Alpinia officinarum with data available.
4-[3,5-dihydroxy-4-(2-methyl-1-oxopropyl)phenoxy]-2-methyl-2-butenoic acid methyl ester
2,4-dihydroxy-3-(3-methylbut-2-enyl)chalcone|Flemistricin-A|Flemistrictin|Iso-cordoin|Isocordoin
Moracin G
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)octan-1-imine
2H-1-Benzopyran-2-one, 6-[(1R,2S)-2,3-dihydroxy-1-methoxy-3-methylbutyl]-7-methoxy-
5,13,15-trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one
C16H20O6_1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5,7-dihydroxy-alpha,4-bis(methylene)-3-oxo-, methyl ester, (4aR,5R,6R,7S,8aR)
C16H20O6_1H-2-Benzoxacyclododecin-1,9(10H)-dione, 3,4,5,6,7,8-hexahydro-7,12,14-trihydroxy-3-methyl
C16H20O6_2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-8,11,13-trihydroxy-4-methyl
5,13,15-trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
methyl 2-[(4aR,5R,6R,7S,8aR)-8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-6-yl]prop-2-enoate
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based: Match]
3-(2,4-dihydroxypentyl)-6,8-dimethoxyisochromen-1-one [IIN-based on: CCMSLIB00000847759]
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one_major
Moracin D
5-(2-Carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienal (2-carboxypyrrolidine)imine
4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
3-Oxaachillicin
Methyl 2-[(4aR,5R,6R,7S,8aR)-5,7-dihydroxy-4-methylene-3-oxo-8a-vinyloctahydro-1H-isochromen-6-yl]acrylate
1,3-diisocyanato-2-methylbenzene,3-(3-hydroxypropoxy)propan-1-ol
furan-2,5-dione,3-(3-hydroxypropoxy)propan-1-ol,propane-1,2-diol
8-chloro-2,3,4,4a,5,9b-hexahydro-1h-pyrido[4,3-b]indole
4-[5-(4-DIMETHYLAMINOPHENYL)OXAZOL-2-YL]BENZENEBORONIC ACID 97
9-benzyl-3,9-diazaspiro[5.5]undecane-2,4-dione (Hydrochloride)
3-(4-OXO-3-P-TOLYL-3,4-DIHYDRO-QUINAZOLIN-2-YL)-PROPIONIC ACID
c-[4-(4-methoxy-benzyl)-morpholin-2-yl]-methylamine dihydrochloride
C13H22Cl2N2O2 (308.10582519999997)
1H-Benzimidazole,1-ethyl-2-[4-(methylsulfonyl)-1-piperazinyl]-(9CI)
BENZYL 5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXYLATE
(S)-tert-Butyl 3-(2-nitrophenoxy)pyrrolidine-1-carboxylate
N-(2-chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide
ETHYL 4-(2-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZOATE
diethyl 2-acetamido-2-(pyridin-4-ylmethyl)propanedioate
2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-Pyrazol-3-one
C17H16N4O2 (308.12731959999996)
5-CHLORO-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
2-(3-CHLORO-5-(CYCLOPROPYLMETHOXY)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
C16H22BClO3 (308.13504420000004)
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[tris(1-methylethyl)silyl]-
(6aR)-1,2,3,8,9-pentadeuterio-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol,hydrochloride
C17H13ClD5NO2 (308.13398569000003)
1H-Pyrrolo[2,3-b]pyridine, 6-chloro-1-[tris(1-methylethyl)silyl]
triethoxy-[4-(trifluoromethyl)phenyl]silane
C13H19F3O3Si (308.10554999999994)
5-N-Ethylcarboxamidoadenosine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents 5'-N-Ethylcarboxamidoadenosine (NECA) is a nonselective adenosine receptor agonist. 5'-N-Ethylcarboxamidoadenosine (NECA) is a nonselective adenosine receptor agonist.
2-(pentafluoro-λ6-sulfanyl)ethynyl-tri(propan-2-yl)silane
2-trans-benzoyl-5-trans-phenyl-1-cyclohexanecarboxylic acid
8-Benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochlori de (1:1)
1-Naphthalenecarboxaldehyde,2-(1-naphthalenylmethylene)hydrazone
3-[2-[(Trimethylsilyl)oxy]phenyl]acrylic acid trimethylsilyl ester
(S)-Benzyl 2,6-diaminohexanoate dihydrochloride
C13H22Cl2N2O2 (308.10582519999997)
1,3-diisocyanato-2-methylbenzene,2-ethyl-2-(hydroxymethyl)propane-1,3-diol
PP242
C16H16N6O (308.13855259999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Torkinib (PP 242) is a selective and ATP-competitive mTOR inhibitor with an IC50 of 8 nM[1]. PP242 inhibits both mTORC1 and mTORC2 with IC50s of 30 nM and 58 nM, respectively[2]. Torkinib (PP 242) is a selective and ATP-competitive mTOR inhibitor with an IC50 of 8 nM[1]. PP242 inhibits both mTORC1 and mTORC2 with IC50s of 30 nM and 58 nM, respectively[2].
3-O,5-O-Benzylidene-1-O,2-O-isopropylidene-α-D-glucofuranose
(3S)-3-tert-butoxycarbonylamino-1-nitro-2-oxo-4-phenylbutane
8-chloro-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester
Delpazolid
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C258 - Antibiotic
8-(benzo[b]thiophen-4-yl)-5,8-diazaspiro[4.5]decan-5-ium chloride
C16H21ClN2S (308.11138960000005)
TERT-BUTYL 3-(2-NITROPHENOXY)PYRROLIDINE-1-CARBOXYLATE
ethyl 3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxylate
C17H16N4O2 (308.12731959999996)
3-chloro-6-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]pyridazine
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
C19H20N2S (308.13471200000004)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Penilloic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Nigerapyrone F
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5Z stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Nigerapyrone H
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1Z,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Nigerapyrone G
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3Z,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
Benzylpenilloic acid
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N-(9beta-D-2-Deoxyribofuranosylpurin-6-yl)glycinamide
2-(2,3-dioxo-1-indolyl)-N-(2-phenylethyl)acetamide
2-[(2E)-2-(2,5-dimethylbenzylidene)hydrazinyl]-3-hydroxyquinazolin-4(3H)-one
C17H16N4O2 (308.12731959999996)
Mono[2-(carboxymethyl)hexyl] Phthalate
A phthalic acid monoester resulting from the formal condensation of one of the carboxy gruops of phthalic acid with the hydroxy group of 3-(hydroxymethyl)heptanoic acid.
3-(1,3-benzodioxol-5-ylmethyl)-4,10-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazole
C17H16N4O2 (308.12731959999996)
1-(5-Oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
C17H16N4O2 (308.12731959999996)
Roquinimex
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors
Methyl 2-(8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-6-yl)prop-2-enoate
2-Amino-6-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]hexanoic acid
9,13,15-Trihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
7-(3-Amino-5-hydroxyphenyl)-7-hydroxy-2,6-dimethyl-3,5-dioxoheptanoate
(2R)-2-amino-3-[(E)-N-hydroxy-C-(7-methylsulfanylheptyl)carbonimidoyl]sulfanylpropanoic acid
Monodictysin C
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8, methyl groups at positions 3 and 4a and a methoxy group at position 6 (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity.
botryosphaerin H
A tetracyclic diterpenoid that is decahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dionewhich is substituted by methyl groups at the 3a and 10b positions and by hydroxy groups at the 6 and 6a positions. A tetranorlabdane diterpenoid isolated from isolated from the solid fermentation products of Botryosphaeria sp. P483 that exhibits antifungal activity.
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
N-(3-acetylphenyl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
C17H16N4O2 (308.12731959999996)
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
1-(4-Ethoxyphenyl)-3-(6-quinoxalinyl)urea
C17H16N4O2 (308.12731959999996)
5-Methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide
C17H16N4O2 (308.12731959999996)
N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamide
C17H16N4O2 (308.12731959999996)
4-[[(4-Hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
N-cyano-N-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester
C14H17FN4OS (308.11070440000003)
(2S,3R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide
3-(2,4-Dihydroxypentyl)-6,8-dimethoxyisochromen-1-one
2-[(2R,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2R,5R,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2S,5R,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2S,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2R,5S,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2S,5S,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2S,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
2-[(2R,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
N(2)-{[(3S,6S)-6-amino-5-oxo-3,5,6,7-tetrahydroindolizin-3-yl]carbonyl}-L-asparagine
3-amino-7-(4-methylpiperazin-1-yl)-9-oxo-9H-imidazo[1,2-a]indole-2-carbonitrile
C16H16N6O (308.13855259999997)
Cinnamic acid, p-(trimethylsiloxy)-, trimethylsilyl ester
beta-(Trimethylsilyl)oxy-cinnamic acid trimethylsilyl ester
6-Acetoxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-ethane-1-thiol
C17H24O3S (308.14460740000004)
10-[2-(4-Hydroxyphenyl)ethylamino]-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide
2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium
N(6)-carbamoylmethyl-2-deoxyadenosine
A nucleoside analogue that is adenosine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group.
3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine
An O-glycosyl-L-serine having N-acetyl-beta-D-glucosaminyl as the glycosyl component.
O-(N-acetyl-alpha-D-galactosaminyl)-L-serine
A non-proteinogenic L-amino acid that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-serine.
14-Dihydroxycornestin
A cyclic dicarboxylic anhydride that is 5,6,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3(4H)-dione substituted by an ethylidene group at position 9, hydroxy groups at position 5 and 8, a propyl group at position 4 and an oxo group at position 6.
SB-203186 (hydrochloride)
SB-203186 hydrochloride is a potent, selective and competitive 5-HT4 antagonist. SB-203186 hydrochloride antagonizes the 5-HT4 receptor-mediated relaxations of the carbachol-contracted rat isolated oesophagus against 5-HT with pKB values of 10.9 (rat oesophagus), 9.5 (guinea-pig ileum), and 9.0 (human colon) respectively[1][2][3].
2-[(2,2-dimethylchromen-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
(3r)-6,8-dihydroxy-3-{[(2r,5r,6s)-5-hydroxy-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
(5r,6s,7ar,8r,8ar)-8-acetyl-5,7a-dihydroxy-6-methoxy-3,5-dimethyl-6h,7h,8h,8ah-indeno[5,6-b]furan-2-one
(5s)-3-hydroxy-5-[(2r)-1-(5-hydroxy-3-methyl-4-oxo-5h-furan-2-yl)propan-2-yl]-4-methyl-5-[(1e)-prop-1-en-1-yl]furan-2-one
(2s,3r,5r)-5-[(1r,3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z,3e)-penta-1,3-dien-1-yl]oxolan-3-yl acetate
C17H21ClO3 (308.11791460000006)
3,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h,4ah,10h,10ah-naphtho[2,3-c]pyran-5-one
(3z,8r,11z,16r)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
methyl (3r,5r,7r,8s)-3,11-dihydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-triene-3-carboxylate
9-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]phenazine-1-carboxylic acid
5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.0⁵,¹⁰]octadeca-6,15-diene-8,17-dione
methyl 2-(8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-hexahydro-2-benzopyran-6-yl)prop-2-enoate
(4br,10ar)-9-hydroxy-7-methoxy-11,11-dimethyl-4bh,10h,10ah-benzo[b]fluoren-5-one
(1r,3s,4s,8r,11r,12s,16r)-4-hydroxy-2,7,17-trioxapentacyclo[10.7.0.0¹,¹⁶.0³,¹¹.0⁴,⁸]nonadecane-10,14-dione
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,4s,5s,6r)-4,5,6-trihydroxycyclohex-2-en-1-yl]oxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1s,2r,5s,6s)-2,5,6-trihydroxycyclohex-3-en-1-yl]oxy}oxane-3,4,5-triol
(3ar,4s,7r,9r,9as,9bs)-4,7-dihydroxy-9-methoxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2,8-dione
6-(acetyloxy)-3-hydroxy-1,4,5-trimethoxyhexan-2-yl acetate
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran
(2r,4r,6r)-10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
(3e,11e)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
3,5-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(2s)-cis-4'-hydroxy-ongokein
{"Ingredient_id": "HBIN006797","Ingredient_name": "(2s)-cis-4'-hydroxy-ongokein","Alias": "NA","Ingredient_formula": "C16H20O6","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3(CCC(CC3)O)O)O","Ingredient_weight": "308.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "76764418","DrugBank_id": "NA"}
(2s)-trans-4'-hydroxy-ongokein
{"Ingredient_id": "HBIN006826","Ingredient_name": "(2s)-trans-4'-hydroxy-ongokein","Alias": "NA","Ingredient_formula": "C16H20O6","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3(CCC(CC3)O)O)O","Ingredient_weight": "308.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10554","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "76764418","DrugBank_id": "NA"}
(1s,3s,4s,4ar,9as)-1,4,8,9a-tetrahydroxy-4a-(hydroxymethyl)-3-methyl-2,3,4,10-tetrahydro-1h-anthracen-9-one
(3,5-dihydroxy-2-{2-[(2s,6s)-6-methyloxan-2-yl]acetyl}phenyl)acetic acid
(2s,3r,4as,9as,10s)-2,3,5,10-tetrahydroxy-7-methoxy-2-methyl-1,3,4,4a,9a,10-hexahydroanthracen-9-one
8-(2,3-dihydroxy-3-methylbutyl)-5-hydroxy-7-methoxy-2-methylchromen-4-one
3-(2,4-dihydroxyheptyl)-6,8-dihydroxyisochromen-1-one
(5s)-3-hydroxy-5-[(2s)-1-(5-hydroxy-3-methyl-4-oxo-5h-furan-2-yl)propan-2-yl]-4-methyl-5-[(1e)-prop-1-en-1-yl]furan-2-one
(2s)-7-hydroxy-8-[(1e)-3-methylbut-1-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
methyl 2-{[8-hydroxy-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-1-benzopyran-3-yl]oxy}prop-2-enoate
(2s,4r,6r)-10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
2-[(2r)-2-[(acetyloxy)methyl]oxiran-2-yl]-5-(hydroxymethyl)phenyl 2-methylpropanoate
8,12-dimethyl-4-(4-methylpent-3-en-1-yl)-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
2,3,5,10-tetrahydroxy-7-methoxy-2-methyl-1,3,4,4a,9a,10-hexahydroanthracen-9-one
(3s,4ar,5r,10as)-3,5-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl 4-hydroxybenzoate
8-(4-hydroxy-3-methylbutoxy)-5,7-dimethoxychromen-2-one
(4r,8s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
(4r,5s)-4-[(1r)-1-hydroxy-3-oxobutyl]-5-[(3s)-3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methylideneoxolan-2-one
6-(acetyloxy)-4-hydroxy-1,3,5-trimethoxyhexan-2-yl acetate
(3s,4ar,5r,10as)-5,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(1r,5r,10s,14r)-5,14-dihydroxy-2,11-dioxatricyclo[12.4.0.0⁵,¹⁰]octadeca-6,15-diene-8,17-dione
1,4,8-trihydroxy-6-methoxy-3,4a-dimethyl-2,3,4,9a-tetrahydro-1h-xanthen-9-one
{3,5-dihydroxy-2-[2-(6-methyloxan-2-yl)acetyl]phenyl}acetic acid
(2r,3s,5s)-5-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z,3e)-penta-1,3-dien-1-yl]oxolan-3-yl acetate
C17H21ClO3 (308.11791460000006)
1,6,7,10-tetrahydroxy-3-methoxy-6-methyl-5,7,8,8a,10,10a-hexahydroanthracen-9-one
methyl (2e)-4-[3,5-dihydroxy-4-(2-methylpropanoyl)phenoxy]-2-methylbut-2-enoate
6,8-dihydroxy-3-[(4-hydroxy-6-methyloxan-2-yl)methyl]-3,4-dihydro-2-benzopyran-1-one
(3s,7s)-7,12,14-trihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
4-(1-hydroxy-3-oxobutyl)-5-(3-methoxy-2-methyl-5-oxocyclopent-1-en-1-yl)-3-methylideneoxolan-2-one
7-hydroxy-8-(3-methylbut-1-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
8,9-dihydroxy-3-methoxy-6,12,12-trimethyl-5,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
(8e)-4-methoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,8,15,18-heptaen-12-one
(2r,3r,4s,5s,6r)-2-[(2e,8z)-deca-2,8-dien-4,6-diyn-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
ethyl 2-[(2s)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetate
(3s,4as,10r,10ar)-3,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h,4ah,10h,10ah-naphtho[2,3-c]pyran-5-one
(3r,4ar,10s,10as)-3,10-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h,4ah,10h,10ah-naphtho[2,3-c]pyran-5-one
5-[7-methoxy-5-(prop-2-en-1-yl)-1-benzofuran-2-yl]-2h-1,3-benzodioxole
(1s,3s)-1,8-dihydroxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione
2-methoxy-4-{[5-(2-phenylethyl)furan-2-yl]methyl}phenol
(3s,4ar,5s,10as)-5,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
2-(hydroxymethyl)-6-[(2,5,6-trihydroxycyclohex-3-en-1-yl)oxy]oxane-3,4,5-triol
{4-[5-methyl-5-(2-methylbutyl)furan-2-ylidene]-3,5-dioxooxolan-2-yl}acetic acid
(2s,3r,4r,5s)-6-(acetyloxy)-4-hydroxy-1,3,5-trimethoxyhexan-2-yl acetate
9,10-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h,4ah,10h,10ah-naphtho[2,3-c]pyran-5-one
2-formyl-3-(hydroxymethyl)-6-methoxy-5-methyl-4-[(3-methylbut-2-en-1-yl)oxy]benzoic acid
2,7-dihydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)phenalen-1-one
(2r,3r,4s,5s,6r)-2-(deca-2,8-dien-4,6-diyn-1-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-5-hydroxy-7-methoxy-2-methylchromen-4-one
(3r)-5,6,8-trihydroxy-3-{[(2r,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
(6s,7r,8ar,10r,10ar)-1,6,7,10-tetrahydroxy-3-methoxy-6-methyl-5,7,8,8a,10,10a-hexahydroanthracen-9-one
5-(4-methoxyphenyl)-6,7-dimethyl-2h,5h,6h-naphtho[2,3-d][1,3]dioxole
7,12,14-trihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
(2s,3r,4as,9as,10r)-2,3,5,10-tetrahydroxy-7-methoxy-2-methyl-1,3,4,4a,9a,10-hexahydroanthracen-9-one
4-{3-[(acetyloxy)methyl]oxiran-2-yl}-2-methoxyphenyl 2-methylpropanoate
9-hydroxy-7-methoxy-11,11-dimethyl-4bh,10h,10ah-benzo[b]fluoren-5-one
hydroxy({[(3s,6s)-6-hydroxy-4,7,7-trimethyl-1-oxo-3h,6h,8h-indeno[4,5-c]furan-3-yl]methoxy})oxoazanium
(1s,7r,8r,9s,12s,16r)-7,8-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione
(4s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
7-[(3r)-6,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]heptanoic acid
7-(2-hydroxy-3-methoxy-3-methylbutoxy)-6-methoxychromen-2-one
(4as)-4a-hydroxy-7-methoxy-1-methyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
2-(1,4-dihydroxycyclohexyl)-5-hydroxy-7-methoxy-2,3-dihydro-1-benzopyran-4-one
2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
6,8-dihydroxy-3-[(5-hydroxy-6-methyloxan-2-yl)methyl]-3,4-dihydro-2-benzopyran-1-one
(2s,4r,6s)-10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
(3r)-6,8-dihydroxy-3-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
7-(6,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)heptanoic acid
(3ar,4r,7r,9r,9ar,9br)-4,7-dihydroxy-9-methoxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2,8-dione
(2s,3r,4s,5s)-6-(acetyloxy)-3-hydroxy-1,4,5-trimethoxyhexan-2-yl acetate
6-[(5e)-3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl]-4-methoxypyran-2-one
methyl 2-[(4ar,5r,6r,7s,8as)-8a-ethenyl-5,7-dihydroxy-4-methylidene-3-oxo-hexahydro-2-benzopyran-6-yl]prop-2-enoate
7-hydroxy-5,6-dimethoxy-3-(3-oxohexyl)-3h-2-benzofuran-1-one
3-[(2r,4s)-2,4-dihydroxyheptyl]-6,8-dihydroxyisochromen-1-one
methyl (3s,5s)-5-hydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoate
methyl 3,11-dihydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-triene-3-carboxylate
2-{2-[(acetyloxy)methyl]oxiran-2-yl}-5-(hydroxymethyl)phenyl 2-methylpropanoate
9-(4-hydroxy-3-methylbut-2-en-1-yl)phenazine-1-carboxylic acid
(3s)-7-hydroxy-5,6-dimethoxy-3-(3-oxohexyl)-3h-2-benzofuran-1-one
(2e)-3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
butyl 3-(7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(3s,6s)-8,9-dihydroxy-3-methoxy-6,12,12-trimethyl-5,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
(5s,7s,8ar,10s,10as)-1,4,5,7-tetrahydroxy-10-methoxy-2-methyl-6,7,8,8a,10,10a-hexahydro-5h-anthracen-9-one
3,11-dihydroxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),9(13),10-triene-12-carboxylic acid
3-methoxy-2-(methoxycarbonyl)-4-methyl-5-[(3-methylbut-2-en-1-yl)oxy]benzoic acid
(3s,5s,7r,8s)-3,11-dihydroxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),9(13),10-triene-12-carboxylic acid
(2s)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dimethoxyphenyl)-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran
6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
1-[2-(2h-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-one
(3s,5r)-5,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
4,7-dihydroxy-9-methoxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2,8-dione
4-[(2r,3r)-3-[(acetyloxy)methyl]oxiran-2-yl]-2-methoxyphenyl 2-methylpropanoate
(2s,5s,6r,7s,9s)-9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.0²,⁶]trideca-1(13),10-dien-7-yl acetate
(2r,3s,4r,5s)-2-[(2,2-dimethylchromen-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
1-{2-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-phenylprop-2-en-1-one
8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
(3r,6r)-8,9-dihydroxy-3-methoxy-6,12,12-trimethyl-5,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
7,8-dihydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadec-2-ene-4,11-dione
(2s)-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one
(2r,3s,4s,5r)-2-[(2,2-dimethylchromen-6-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol
4a,7-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
3-hydroxy-5-[1-(5-hydroxy-3-methyl-4-oxo-5h-furan-2-yl)propan-2-yl]-4-methyl-5-(prop-1-en-1-yl)furan-2-one
8-[(3s)-4-hydroxy-3-methylbutoxy]-5,7-dimethoxychromen-2-one
4a,8-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
(2s)-5-hydroxy-7-methoxy-2-[(1s,4r)-1,4-dihydroxycyclohexyl]-2,3-dihydro-1-benzopyran-4-one
butyl 3-[(3r)-7,8-dihydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
(3r)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpentan-1-one
1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-phenylprop-2-en-1-one
(4s,5s,8s,9z)-9-ethylidene-5,8-dihydroxy-4-propyl-4h,5h,7h,8h,10h-cyclonona[c]furan-1,3,6-trione
(3s)-6,8-dihydroxy-3-{[(2r,5r,6s)-5-hydroxy-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one
6-[(2s)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
6-(3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl)-4-methoxypyran-2-one
9-(3-hydroxy-3-methylbut-1-en-1-yl)phenazine-1-carboxylic acid
(4ar)-4a-hydroxy-7-methoxy-1-methyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
(4as)-4a,7-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
(2s,4s,6r)-10-hydroxy-11,12-dimethoxy-4-propyl-3,7-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-trien-8-one
3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboximidic acid
[(2r)-4-[(2z,5r)-5-methyl-5-[(2r)-2-methylbutyl]furan-2-ylidene]-3,5-dioxooxolan-2-yl]acetic acid
(1r,3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-1-(2-oxopropyl)-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid
(5s,6r)-5-(4-methoxyphenyl)-6,7-dimethyl-2h,5h,6h-naphtho[2,3-d][1,3]dioxole
(4s,8s)-8,11,13-trihydroxy-4-methyl-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecine-2,10-dione
ethyl 2-[7-hydroxy-2-(2-hydroxypropyl)-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetate
(3r,7r)-7,12,14-trihydroxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
ethyl 2-[(2r)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetate
[(2r)-4-[(2z,5s)-5-methyl-5-[(2s)-2-methylbutyl]furan-2-ylidene]-3,5-dioxooxolan-2-yl]acetic acid
5-(1-chlorohex-3-en-5-yn-1-yl)-2-(penta-1,3-dien-1-yl)oxolan-3-yl acetate
C17H21ClO3 (308.11791460000006)