Exact Mass: 402.230716
Exact Mass Matches: 402.230716
Found 500 metabolites which its exact mass value is equals to given mass value 402.230716
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gamabufogenin
Gamabufogenin is a steroid lactone. It is functionally related to a bufanolide. Gamabufotalin is a natural product found in Bufotes viridis, Bufo, and other organisms with data available. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Gamabufotalin (Gamabufagin), a main active compound isolated from Chinese medicine Chansu, has been shown to strongly inhibit cancer cell growth and inflammatory response. Gamabufotalin could inhibite angiogenesis by inhibiting the activation of VEGFR-2 signaling pathways. Gamabufotalin (Gamabufagin), a main active compound isolated from Chinese medicine Chansu, has been shown to strongly inhibit cancer cell growth and inflammatory response. Gamabufotalin could inhibite angiogenesis by inhibiting the activation of VEGFR-2 signaling pathways.
Telobufotoxin
Telocinobufagin is a steroid lactone. It is functionally related to a bufanolide. Telocinobufagin is a natural product found in Bufo gargarizans, Bufo bufo, and other organisms with data available. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Telocinobufagin is one of anti-hepatoma constituent in Venenum Bufonis. Telocinobufagin is one of anti-hepatoma constituent in Venenum Bufonis.
ST 24:4;O5
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Same as: D01693
Trandolaprilat
Trandolaprilat is a metabolite of trandolapril. Trandolapril is an ACE inhibitor used to treat high blood pressure, it may also be used to treat other conditions. It is marketed by Abbott Laboratories with the brand name Mavik. (Wikipedia) C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
Merodesmosine
Aminoacid from reduced elastin. Merodesmosine is found in animal foods. Merodesmosine is found in animal foods. Aminoacid from reduced elasti
Lucidone A
Lucidone A is found in mushrooms. Lucidone A is a constituent of Ganoderma lucidum (reishi)
Cinitapride
Cinitapride is only found in individuals that have used or taken this drug.Cinitapride is a gastroprokinetic agent and antiulcer agent of the benzamide class which is marketed in Spain and Mexico. It acts as an agonist of the 5-HT1 and 5-HT4 receptors and as an antagonist of the 5-HT2 receptors. A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Cinitapride is a nonselective 5-HT1 and 5-HT4 receptors agonist and a 5-HT2 and D2 antagonist. Cinitapride can be used in functional dyspepsia (FD) and gastroesophageal reflux disease (GERD) research[1].
Acetyl tributyl citrate
Acetyl tributyl citrate is a flavouring ingredient and plasticiser used in packaging films for food. Flavouring ingredient. Plasticiser used in packaging films for food [DFC].
1-(2-((1-Carboxy-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indole-2-carboxylic acid
Gamabufotalin
Telocinobufagin
3-dehydrocholate
3-dehydrocholate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3-dehydrocholate can be found in a number of food items such as kale, cucurbita (gourd), atlantic herring, and spearmint, which makes 3-dehydrocholate a potential biomarker for the consumption of these food products. Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. It acts as a hydrocholeretic, increasing bile output to clear increased bile acid load .
Clascoterone
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
17-Succinoyloxy-ent-cleroda-3,13(16),14-trien-15,16-oxide
3alpha,14alpha-Diacetoxy-2beta-hydroxy-1(15),8(19),9-trinervitatriene
(S)-AL 8810
N-(1-amino-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1h-indazole-3-carboxamide
3alpha,9,14-Trihydroxy-5beta,14beta-bufa-20,22-dienolid|3alpha,9,14-trihydroxy-5beta,14beta-bufa-20,22-dienolide
1beta,11alpha-Diacetoxy-7-oxosandaracopimar-8(14),15-dien
7beta-angeloyloxy-8alpha-isobutyryloxylongipin-2-en-1-one
2-oxo-18,19-diacetoxy-10alpha,17alpha,19alpha,20beta-(-)-cleroda-3,13(16),14-triene
24-methyl-25-oxo-hexacos-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid
(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one|3beta,15beta-diacetoxylathyra-5E,12E-dien-14-one|jolkinoate A
(2E,4E,6E)-6-(1-carboxyocta-2,4,6-triene)-11,12-epoxy-9-hydroxy-11-methoxy-drim-7-ene
6-O-alpha-E-p-coumaroyl-1beta,4alpha-dihydroxyeudesmane
2alpha-isobutyryloxy-15,16-epoxylabda-7,13(16),14-trien-18-oic acid
2-acetyl-3,5-dihydroxy-1-geranoxy-6-methyl-4-(2-methyl)butyryl-benzene
hexanocucurbitacin D|Hexanor-cucurbitacin D|Hexanorcucurbitacin D
(3beta,4beta,5beta,14beta)-3,4,14-Trihydroxybufa-20,22-dienolide
Di-Ac-7, 8-Epoxy-3, 12(18), 13-dolabellatriene-19, 20-diol
(1S,2R,3E,7E,11S,12R,13S)-2,13-diacetoxydolabella-3,7,18-trien-9-one
7alpha-hydroxy-8,11,13-abietatriene-18-succinic acid|abiesadine F
6alpha,12-diacetoxy-7beta-hydroxyabieta-8,11,13-triene|fortunin B
Hexanorcucurbitacin D
hexanorcucurbitacin D is a natural product found in Begonia parviflora, Cucumis melo, and other organisms with data available.
Dehydrocholic acid
Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. It acts as a hydrocholeretic, increasing bile output to clear increased bile acid load. 3,7,12-trioxo-5beta-cholanic acid is an oxo-5beta-cholanic acid in which three oxo substituents are located at positions 3, 7 and 12 on the cholanic acid skeleton. It has a role as a gastrointestinal drug. It is an oxo-5beta-cholanic acid, a 7-oxo steroid, a 12-oxo steroid and a 3-oxo-5beta-steroid. It is a conjugate acid of a 3,7,12-trioxo-5beta-cholan-24-oate. Dehydrocholic acid is a synthetic bile acid that was prepared from the oxidation of cholic acid with chromic acid. It has been used for stimulation of biliary lipid secretion. The use of dehydrocholic acid in over-the-counter products has been discontinued by Health Canada.
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
3,7,12-Trioxo-5b-cholan-24-oic acid
BA-119-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-119-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-119-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
3,7,12-Trioxo-5a-cholan-24-oic acid
BA-128-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-128-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-128-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
Acetyl tributyl citrate
CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10214; ORIGINAL_PRECURSOR_SCAN_NO 10209 CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10264; ORIGINAL_PRECURSOR_SCAN_NO 10263 CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10273; ORIGINAL_PRECURSOR_SCAN_NO 10271 CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10322; ORIGINAL_PRECURSOR_SCAN_NO 10320 CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10328; ORIGINAL_PRECURSOR_SCAN_NO 10327 CONFIDENCE standard compound; INTERNAL_ID 523; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10342; ORIGINAL_PRECURSOR_SCAN_NO 10341
Ala Ala Lys Asn
Ala Ala Asn Lys
Ala Gly Lys Gln
Ala Gly Gln Lys
Ala Ile Ile Ser
Ala Ile Leu Ser
Ala Ile Ser Ile
Ala Ile Ser Leu
Ala Ile Thr Val
Ala Ile Val Thr
Ala Lys Ala Asn
Ala Lys Gly Gln
Ala Lys Asn Ala
Ala Lys Gln Gly
Ala Leu Ile Ser
Ala Leu Leu Ser
Ala Leu Ser Ile
Ala Leu Ser Leu
Ala Leu Thr Val
Ala Leu Val Thr
Ala Asn Ala Lys
Ala Asn Lys Ala
Pregn-4-ene-3,20-dione, 6a,17-dihydroxy-6-methyl-, 17-acetate
Pregn-4-ene-3,20-dione, 6b,17-dihydroxy-6-methyl-, 17-acetate
Ala Gln Gly Lys
7,21-Dihydroxy-6a-methylpregn-4-ene-3,20-dione 17-acetate
Ala Gln Lys Gly
Ala Ser Ile Ile
Ala Ser Ile Leu
Ala Ser Leu Ile
Ala Ser Leu Leu
Ala Thr Ile Val
Ala Thr Leu Val
Ala Thr Val Ile
Ala Thr Val Leu
Ala Val Ile Thr
Ala Val Leu Thr
Ala Val Thr Ile
Ala Val Thr Leu
Gly Ala Lys Gln
Gly Ala Gln Lys
Gly Ile Ile Thr
Gly Ile Leu Thr
Gly Ile Thr Ile
Gly Ile Thr Leu
Gly Lys Ala Gln
Gly Lys Gln Ala
Gly Leu Ile Thr
Gly Leu Leu Thr
Gly Leu Thr Ile
Gly Leu Thr Leu
Gly Gln Ala Lys
Gly Gln Lys Ala
Gly Thr Ile Ile
Gly Thr Ile Leu
Gly Thr Leu Ile
Gly Thr Leu Leu
Ile Ala Ile Ser
Lys Ala Ala Asn
Lys Ala Gly Gln
Lys Ala Asn Ala
Lys Ala Gln Gly
Lys Gly Ala Gln
Lys Gly Gln Ala
Lys Asn Ala Ala
Lys Gln Ala Gly
Lys Gln Gly Ala
Asn Ala Ala Lys
Asn Ala Lys Ala
Asn Lys Ala Ala
Gln Ala Gly Lys
Gln Ala Lys Gly
Gln Gly Ala Lys
Gln Gly Lys Ala
Gln Lys Ala Gly
Gln Lys Gly Ala
Trandolaprilat
A heterobicyclic compound that is trandolapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of the prodrug trandolapril. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor
AL 8810
methyl ester
Cinitapride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Cinitapride is a nonselective 5-HT1 and 5-HT4 receptors agonist and a 5-HT2 and D2 antagonist. Cinitapride can be used in functional dyspepsia (FD) and gastroesophageal reflux disease (GERD) research[1].
lucidone A
1-butyl-3-methylimidazolium hydrogen sulfate
C18H34N4O4S (402.23006440000006)
1 2-BIS(1-(TRIMETHYLSILYL)-1H-INDEN-3-Y&
C26H34Si2 (402.21989240000005)
[4-[[4-(diethylamino)-2-methylphenyl]azo]phenacyl]trimethylammonium chloride
4,4-di(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b]dithiophene
Bepridil hydrochloride
D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
17α-hydroxy-19-norpregna-5(10),9(11)-diene-3,20-dione 3,20-bis(ethylene acetal)
(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester (2Z)-2-Methyl-2-butenoic Acid
4-[2-(2,6-Difluoro-4-pentylphenyl)ethynyl]-4-propyl-1,1-biphenyl
Acacia senegal, ext.
1H-Indol-2-carboxylic acid, 1-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)octahydro-
Spiroxasone
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2355 - Anti-Adrenal
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3S)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
Msh, beta, (6-8)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D009074 - Melanocyte-Stimulating Hormones
Morpholine-4-carboxylic acid [1S-(2-benzyloxy-1R-cyano-ethylcarbamoyl)-3-methyl-butyl]amide
Clascoterone
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
4-(cyclopropylmethyl)-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4-piperidine]
(3E,5E,7E,10R,12Z,14E,17R,18S,22S)-22-ethyl-10,18-dihydroxy-17-methyl-1-oxacyclodocosa-3,5,7,12,14-pentaene-2,16-dione
ambiguine I
An ambiguine that consists of a 5,5,7,10,10-pentamethyl-4,5,5a,6a,6b,7,8,9,9a,10-decahydro-10dH-6-oxa-4-azacyclopropa[6,7]cyclohepta[1,2,3,4-mno]aceanthrylen-10d-ol skeleton with an ethenyl substituent at position 7 and an isocyano group at position 6b (the 5aS,6aR,6bR,7R,9aR,10dR stereoisomer). An antimicrobial agent isolated from the cyanobacterium strain Fischerella.
(3E,5E,9E,11Z,17E,19E)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
(-)-(5E,12E,2S,3S,4S,9S,11S,15R)-3,15-diacetoxylathyra-5,12-dien-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(4R)-4-[(10S,13R,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
(1R,2R,6R)-6-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3-methyl-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
4-[(5S,10S,13R,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
(1R,2S,6R)-3-methoxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
N-[(3-methoxyphenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline hydrochloride
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
N-[(2R,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide
N-[(2S,3R,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(2S,3S,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(2S,3R,6R)-6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-pyridin-3-ylacetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
(1S,2aS,8bS)-1-(hydroxymethyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
1-[(3aR,4R,9bR)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide
N-[(2R,3S,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(2R,3R,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(propylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
(1S,2aR,8bR)-1-(hydroxymethyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-1-(hydroxymethyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aR,8bR)-1-(hydroxymethyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(4R)-4-[(5S,8S,9R,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-12-(oxan-4-ylmethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-12-(oxan-4-ylmethyl)-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
Tributyl 2-carboxymethyl-1,2,3-propane tricarboxylate
7alpha,12alpha-Dihydroxy-3-oxochola-1,4-dien-24-oic Acid
yanuthone L
A class I yanuthone that is yanuthone K in which a hydrogen of the pro-E methyl group at the terminus of the farnesyl substituent has been replaced by a hydroxy group. Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 17.0 +-1.9 muM).
yanuthone X1
A class II yanuthone that is yanuthone X2 in which the hydroxy group at position 4 of the 5,6-epoxycyclohex-2-en-1-one core has been converted to the corresponding acetate ester. Like yanuthone X2, yanuthone X1 has been isolated from the filamentous fungus Aspergillus niger, but shows much lower antifungal activity towards the pathogenic yeast Candida albicans than yanuthone X2 (IC50 >100 muM for yanuthone X1, compared with = 51.7 +-4.7 muM for yanuthone X2).
19-Hydroxybufalin
19-Hydroxybufalin is a bufadienolide, inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 cells[1].
(2s,3r,4s,5s,6r,7r,8r)-5,6,7-trihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (4r)-4-hydroxyoct-2-enoate
methyl (1s,2r,5r,10r,11r,13s,14s)-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
(1e,10z,12e,15z,17e)-3,20,22-trihydroxy-7-methyl-3,4,5,6,7,14,18a,19,20,21,22,22a-dodecahydro-8-benzoxacycloicosin-9-one
(4bs,8as,9r,10r)-9-(acetyloxy)-10-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl acetate
(1r,5r,7s,12s,13s,14s)-13-(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-1-yl acetate
3-{5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-oxo-hexahydro-1h-naphthalen-1-yl}propanoic acid
[(1r,2s,5s,9s,13r)-2-(acetyloxy)-5,9-dimethyl-14-methylidene-6-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
{5-[(acetyloxy)methyl]-1,2-dimethyl-1-(3-methylidenepent-4-en-1-yl)-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-4a-yl}methyl acetate
1-[(1s,4as,11ar)-1-(acetyloxy)-7-methyl-11-methylidene-1h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-4-yl]-4-methylpent-3-en-1-yl acetate
(3s)-2-[(1s,3r,4s,4as)-3-(acetyloxy)-4-methyl-7-methylidene-2,3,4,4a,5,6-hexahydro-1h-naphthalen-1-yl]-6-methyl-4-oxohept-5-en-3-yl acetate
[(3br,5as,6s,9as,9bs)-6-[(acetyloxy)methyl]-3b,6-dimethyl-4h,5h,5ah,7h,8h,9h,9bh,10h,11h-phenanthro[1,2-c]furan-9a-yl]methyl acetate
5-[(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a,7-dihydroxy-9a-(hydroxymethyl)-11a-methyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]pyran-2-one
(3r,3as,5r,8ar)-3a-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,4,5,8-hexahydroazulen-5-yl 3,4-dimethoxybenzoate
(1s,5r,6s,8r)-8-{1-[(1r,3as,8as)-4,4,8a-trimethyl-8-methylidene-hexahydro-1h-azulen-1-yl]ethenyl}-3-oxo-2,7-dioxabicyclo[3.2.1]octan-6-yl acetate
3-(hydroxymethyl)-5-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
[5-(acetyloxy)-2-(2-methyl-5-oxocyclopent-3-en-1-yl)-3-(6-methylhepta-2,5-dien-2-yl)cyclopentyl]methyl acetate
(1r,2s,3as,4r,12as)-4-(acetyloxy)-3a,6,10-trimethyl-11-oxo-1-(prop-1-en-2-yl)-1h,2h,3h,4h,7h,8h,12h,12ah-cyclopenta[11]annulen-2-yl acetate
(4as,5r,6s,8ar)-3,4a-dimethyl-5-[(3-methylbutanoyl)oxy]-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl (2e)-2-methylbut-2-enoate
(2r)-1-(3-acetyl-4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2,6-dihydroxy-5-methylphenyl)-2-methylbutan-1-one
(1e,3e,6e,10z)-3-[(acetyloxy)methylidene]-7-methyl-11-(4-methylpent-3-en-1-yl)-12-oxododeca-1,6,10-trien-1-yl acetate
(1r,2s,4s,5s,7r,8r)-3,3,7,9-tetramethyl-5-[(2-methylpropanoyl)oxy]-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl (2z)-2-methylbut-2-enoate
(1s,3s,5r,7s,10s,14r,15s,17r,18s)-15-acetyl-7,17-dihydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-13-one
(2r)-2-[(2s,3r,4r)-3,4-dimethyl-5-oxo-3-(6,8,10-trimethyl-9-oxododeca-1,3,5,7-tetraen-1-yl)oxolan-2-yl]propanoic acid
[(1s,2r,3r,5r)-5-(acetyloxy)-2-[(1r,2r)-2-methyl-5-oxocyclopent-3-en-1-yl]-3-[(2z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl acetate
[(3br,5ar,6s,7s,9ar,9br)-7-(acetyloxy)-3b,6,9a-trimethyl-4h,5h,5ah,7h,8h,9h,9bh,10h,11h-phenanthro[1,2-c]furan-6-yl]methyl acetate
(3r,3as,4s,8ar)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 3,4-dimethoxybenzoate
methyl 4-hydroxy-3-{[1-(hydroxymethyl)-2,4a-dimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]methyl}-5-methoxybenzoate
(1r,3e,5r,7s,10e,12s,13s,14s)-13-(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-1-yl acetate
4-{[(1s,2r,4ar,8ar)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy}-4-oxobutanoic acid
1β-hydroxybufalin
{"Ingredient_id": "HBIN002411","Ingredient_name": "1\u03b2-hydroxybufalin","Alias": "NA","Ingredient_formula": "C24H34O5","Ingredient_Smile": "CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5C3(C(CC(C5)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-acetyl-3,5-dihydroxy-1-geranoxy-6-methyl-4-(2-methyl)butyryl-benzene
{"Ingredient_id": "HBIN005123","Ingredient_name": "2-acetyl-3,5-dihydroxy-1-geranoxy-6-methyl-4-(2-methyl)butyryl-benzene","Alias": "AC1NSTGW; 1-[3-Acetyl-2,6-dihydroxy-5-methyl-4-[(3,7-dimethyl-2,6-octadienyl)oxy]phenyl]-2-methyl-1-butanone; 1-[3-acetyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxy-5-methylphenyl]-2-methylbutan-1-one; 2-acetyl-3,5-dihydroxy-1-geranoxy-6-methyl-4-(2-methyl) butyryl-benzene","Ingredient_formula": "C24H34O5","Ingredient_Smile": "CCC(C)C(=O)C1=C(C(=C(C(=C1O)C)OCC=C(C)CCC=C(C)C)C(=O)C)O","Ingredient_weight": "402.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14136;SMIT19036","TCMID_id": "26099","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5315778","DrugBank_id": "NA"}