Exact Mass: 406.1965
Exact Mass Matches: 406.1965
Found 500 metabolites which its exact mass value is equals to given mass value 406.1965
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carvedilol
Carvedilol is only found in individuals that have used or taken this drug. It is a non-selective beta blocker indicated in the treatment of mild to moderate congestive heart failure (CHF).Carvedilol is a racemic mixture in which nonselective beta-adrenoreceptor blocking activity is present in the S(-) enantiomer and alpha-adrenergic blocking activity is present in both R(+) and S(-) enantiomers at equal potency. Carvedilols beta-adrenergic receptor blocking ability decreases the heart rate, myocardial contractility, and myocardial oxygen demand. Carvedilol also decreases systemic vascular resistance via its alpha adrenergic receptor blocking properties. Carvedilol and its metabolite BM-910228 (a less potent beta blocker, but more potent antioxidant) have been shown to restore the inotropic responsiveness to Ca2+ in OH- free radical-treated myocardium. Carvedilol and its metabolites also prevent OH- radical-induced decrease in sarcoplasmic reticulum Ca2+-ATPase activity. Therefore, carvedilol and its metabolites may be beneficial in chronic heart failure by preventing free radical damage. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AG - Alpha and beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D000975 - Antioxidants D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Carvedilol (BM 14190) is a non-selective β/α-1 blocker[1]. Carvedilol inhibits lipid peroxidation in a dose-dependent manner with an IC50 of 5 μM. Carvedilol is a multiple action antihypertensive agent with potential use in angina and congestive heart failure[2]. Carvedilol is an autophagy inducer that inhibits the NLRP3 inflammasome[3].
(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one
(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one is found in tea. (1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one is a constituent of flower buds of Tussilago farfara (coltsfoot). Constituent of flower buds of Tussilago farfara (coltsfoot). (1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one is found in tea.
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol is found in herbs and spices. 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol is a constituent of the dried rhizomes of Zingiber officinale (ginger). Constituent of the dried rhizomes of Zingiber officinale (ginger). 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol is found in herbs and spices.
4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
13-Acetylphorbol
Argentine
[1S-[1alpha(E),3(E),5beta,6alpha]]-5-(acetyloxy)-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester
15-O-Isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide
Lophanthoidin E
1(10)E-3Z-(5R,7S,8S)-14-acetyloxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),3,11(13)-trien-8,12-olide
5-[(1R*,2S*,3R*)-1-hydroxy-4-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol|kadsuphilin J
(+)-7beta-acetoxy-16-hydroxy-3,13-clerodadien-16,15-olid-18-oic acid
15-O-isovaleroyl-3beta-O-acetyl-9beta-hydroxyamphoricarpolide|15-O-Isovaleroyl-3??-O-acetyl-9??-hydroxyamphoricarpolide
(1aR,3S,4R,4aS,5S,8aS,9aS)-8a-ethoxy-2,3,4,4a,5,7,8a,9-octahydro-5-hydroxy-4,4a,6-trimethyl-7-oxo-1aH-oxireno[2,3:8,8a]naphtho[2,3-b]furan-3-yl (E)-2-methylbut-2-enoate|(1beta,3beta,6beta,8beta,10beta)-3-(angeloyloxy)-1,10-epoxy-8-ethoxy-6-hydroxyeremophil-7(11)-en-8,12alpha-olide
(7S,8R,8aR)-7-(acetyloxy)-3,5,6,7,8,8a-hexahydro-alpha,8,8a-trimethyl-alpha-(2-methyl-1-oxobutoxy)-3-oxonaphthalene-2-acetic acid|3beta-(acetyloxy)-11-(2-methylbutanoyloxy)-8-oxoeremophila-6,9-dien-12-oic acid
9beta-hydroxyovatifolin-8-O-(2-methylbutyrate)|9beta-hydroxyovatifolin-8-O-<2-methylbutyrate>
(4S,4aS,5S,8aR,9aR)-9a-ethoxy-2,4,4a,5,6,7,8,8a,9,9a-decahydro-3,4a-dimethyl-4-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxonaphtho[2,3-b]furan-5-carboxylic acid|6beta-(angeloyloxy)-8alpha-ethoxyeremophil-7(11)-ene-8beta,12-olide-15beta-oic acid
9alpha-acetyloxy-14-hydroxy-8beta-(2-methylbutanoyloxy)acanthospermolide
8alpha-(isovaleryloxy)-8-desacylviguestenin|8alpha--8-desacylviguestenin
10beta-acetoxy-8alpha-angeloyloxy-3beta-hydroxy-1betaH,6alphaH,7alphaH,11alphaH-guai-4-en-6,12-olide
1alpha-acetoxy-2-hydroxy-3alpha(2-methylbutanoyloxy)-isoalantolactone
14-acetoxyartemisiifolin-6-O-<2-methylbutyrate>|14-acetoxyartemissiifolin-6-O-(2-methylbutyrate)|14-acetoxyartemissiifolin-6-O-<2-methylbutyrate>
6beta,7beta,18-trihydroxy-11alpha-acetoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|parvifoline Q
3beta-angeloyloxy-8-oxoeremophil-6(7)-ene-12,15-dioic acid methyl ester
1alpha-acetoxy-6beta,7beta,12alpha,15beta-tetrahydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-diene|isoadenolin K
(4S,6R,7S,8S,10R)-1-oxo-8-angeloyloxy-10-acetoxygermacra-11(13)-en-12,6-olide|rufesolide A
1alpha-acetoxy-6beta,7beta,15beta-trihydroxy-7alpha,20:11alpha,12-diepoxy-ent-kaur-16-ene|sculponin W
2alpha-acetoxy-16-hydroxy-ent-cleroda-3,13-diene-17-oic acid-15,16-olide
(4beta,16alpha,23E)-6-(4-Hydroxybenzoyl)-4,6,8,9-Tetrahydroxy-7-daucanone
3beta-acetoxy-8beta,14alpha-dihydroxy-1-one-3,15-abiatene-16,12-olide
15-O-isovaleroyl-3beta-O-acetyl-2alpha-hydroxyamphoricarpolide|15-O-Isovaleroyl-3??-O-acetyl-2??-hydroxyamphoricarpolide
10,11,14-trihydroxy-18-acetoxymethylene-12-methoxy-8,11,13-abietatrien-7-one
8alpha-(2-methylbutyroxy)-8-desacylviguestenin|8alpha-<2-methylbutyroxy>-8-desacylviguestenin
1alpha-acetoxy-3alpha-hydroxy-2alpha(2-methylbutanoyloxy)-isoalantolactone
3beta-angeloyloxy-4beta-acetoxy-8beta-hydroxy-eudesm-7(11)-en-8alpha,12-olide
2alpha-acetoxy-15-oxo-ent-cleroda-3,13Z-diene-16,17-dioic acid
(1R,3S,4S,6S,7E,11E,13S,14R)-13-acetoxy-3,4-epoxy-6-hydroperoxycembra-7,11,15(17)-trien-16,14-olide|crassocolide L
1alpha,7beta,13alpha-trihydroxy-11beta-acetoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one|enanderianin K
17-O-demethylbonducellpin C|1alpha-acetoxy-5alpha,7beta-dihydroxy-12,16-epoxycassa-12,15-dien-17beta-oic acid
Acetylamarolide|amarolide 11-acetate|amarolide-11-acetate
6beta,7beta,13alpha-trihydroxy-1alpha-acetoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one
carvedilol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AG - Alpha and beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D000975 - Antioxidants D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators Carvedilol (BM 14190) is a non-selective β/α-1 blocker[1]. Carvedilol inhibits lipid peroxidation in a dose-dependent manner with an IC50 of 5 μM. Carvedilol is a multiple action antihypertensive agent with potential use in angina and congestive heart failure[2]. Carvedilol is an autophagy inducer that inhibits the NLRP3 inflammasome[3].
5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde
5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde [IIN-based: Match]
5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde [IIN-based on: CCMSLIB00000845779]
Cys Ala Leu Thr
Cys Ala Thr Ile
Cys Ala Thr Leu
Cys Ile Ala Thr
Cys Leu Ala Thr
Cys Leu Thr Ala
Cys Ser Val Val
Cys Thr Ala Ile
Cys Thr Ala Leu
Cys Thr Ile Ala
Cys Thr Leu Ala
Cys Val Ser Val
Gly His Pro Pro
Gly Ile Ser Met
Gly Leu Met Ser
Gly Leu Ser Met
Gly Met Ile Ser
Gly Met Leu Ser
Gly Met Ser Ile
Gly Met Ser Leu
Gly Met Thr Val
Gly Met Val Thr
Gly Pro His Pro
Gly Pro Pro His
Gly Ser Ile Met
Gly Ser Leu Met
Gly Ser Met Ile
Gly Ser Met Leu
Gly Thr Met Val
Gly Thr Val Met
Gly Val Met Thr
Gly Val Thr Met
His Gly Pro Pro
His Pro Gly Pro
His Pro Pro Gly
Ile Ala Cys Thr
Ile Ala Thr Cys
Ile Cys Ala Thr
Ile Cys Thr Ala
Ile Gly Met Ser
Pro Gly His Pro
Pro Gly Pro His
Pro His Gly Pro
Pro His Pro Gly
Pro Pro Gly His
Pro Pro His Gly
Val Ser Cys Val
Val Ser Met Ala
Val Ser Val Cys
Val Val Cys Ser
Val Val Ser Cys
13-ACETYLPHORBOL
D009676 - Noxae > D002273 - Carcinogens > D010703 - Phorbol Esters
Ulithiacyclamide
3,5-Dihydroxy-meodah
(S)-(-)-Carvedilol
(S)-Carvedilol, the S-enantiomer of Carvedilol, is a non-selective β/α-1 blocker. (S)-Carvedilol exerts protection against the vascular or cardiac toxicity of Doxorubicin (DOX)[1].
(R)-(+)-Carvedilol
(R)-Carvedilol ((R)-BM 14190), the R-enantiomer of Carvedilol, is a non-selective β/α-1 blocker. (R)-Carvedilol exerts protection against the vascular or cardiac toxicity of Doxorubicin (DOX)[1].
4-[9-(4-hydroxy-3,5-dimethyl-phenyl)fluoren-9-yl]-2,6-dimethyl-phenol
(17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
2-hydroxyethyl prop-2-enoate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid,styrene
2,8-Diazaspiro[5.5]undecane, 2,8-bis(phenylmethyl)-, hydrochloride (1:2)
Samotolisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C192218 - DNA-dependent Protein Kinase 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 C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor Samotolisib (LY3023414) potently and selectively inhibits class I PI3K isoforms, DNA-PK, and mTORC1/2 with IC50s of 6.07 nM, 77.6 nM, 38 nM, 23.8 nM, 4.24 nM and 165 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ, DNA-PK and mTOR, respectively. Samotolisib potently inhibits mTORC1/2 at low nanomolar concentrations[1][2]. Samotolisib (LY3023414) potently and selectively inhibits class I PI3K isoforms, DNA-PK, and mTORC1/2 with IC50s of 6.07 nM, 77.6 nM, 38 nM, 23.8 nM, 4.24 nM and 165 nM for PI3Kα, PI3Kβ, PI3Kδ, PI3Kγ, DNA-PK and mTOR, respectively. Samotolisib potently inhibits mTORC1/2 at low nanomolar concentrations[1][2].
Trichothosporon A, (rel)-
A natural product found in Trichothecium speciesMSX 51320.
5-chloro-3-[(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
[(1R,2S,3R,5R,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
N-[(2S)-3-(4-benzoylphenyl)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]carbamic acid tert-butyl ester
8-[11-(4-Methoxyphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
[(1S,2S,5R,8R,9S,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
5-Fluoro-1-[1-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-piperidinyl]benzotriazole
1-(2-fluorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
(5R,8S)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4R,7R)-4-[(4-methoxyphenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8S,9R,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
(6R,7R,8R)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
cyclohexyl-[(2R,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
(5S,8S)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8S,9S,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol
(6R,7R,8S)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-4-[cyclopropyl(oxo)methyl]-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
cyclohexyl-[(2S,3R)-1-ethylsulfonyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
[(1S,2S,5S,8S,9R,10S,11R,12R,15R)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
[1-Deuterio-7-[dimethyl(trimethylsilyl)silyl]-3-[hydroxy(dimethyl)silyl]-1,2-dihydronaphthalen-2-yl]-trimethylsilane
5-Deuterio-6-hydro-7-(hydroxydimethylsilyl)-3-(pentamethyldisilanyl)-6-(trimethylsilyl)naphthalene
1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
(1R,3R,4R,5S,6S,8x)-1-Acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxy-7(14),10-bisaboladien-2-one
[(1r,2r,3r,5s,8s,9s,10s,11r,12r)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
[(1s,4s,8r,9s,10s,11s,13s,15r)-8-formyl-11,15-dihydroxy-7,7-dimethyl-14-methylidene-2-oxo-3-oxatetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-9-yl]methyl acetate
1-ethoxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl 2-methylbut-2-enoate
8-(acetyloxy)-7-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-octahydronaphtho[2,3-b]furan-6-yl 3-methylbutanoate
7-hydroperoxy-5,9,13-trimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.0³,⁵]octadeca-8,12-dien-14-yl acetate
(3ar,4r,9s,11ar)-9-(acetyloxy)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2r)-2-methylbutanoate
{3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl}methyl acetate
8-(acetyloxy)-6-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-octahydronaphtho[2,3-b]furan-7-yl 3-methylbutanoate
3-chloro-4,6-dihydroxy-5-{[(1s,2s,5s)-2-hydroxy-2-methyl-5-[(2z)-6-methylhepta-2,5-dien-2-yl]cyclopentyl]methyl}-2-methylbenzaldehyde
(1's,2r,2's,4'r,5's,6'r,8's,11's)-5'-[(2s,3as,6as)-2h,3h,3ah,6ah-furo[2,3-b]furan-2-yl]-11'-hydroxy-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0¹,⁶]dodecan]-2'-yl acetate
(1r,4s,5r,7r,8s,9s,10s,11r,15s)-4,7,9,10-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-2-en-15-yl acetate
(1s,2s,3s,5s,8r,9s,10s,11r,18r)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate
5-(acetyloxy)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylbutanoate
(3s,3ar,6as,8r,9s,9ar,9br)-8-(acetyloxy)-9-hydroxy-3,9-dimethyl-6-methylidene-2-oxo-octahydroazuleno[4,5-b]furan-3-yl (2e)-2-methylbut-2-enoate
8-(acetyloxy)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,9h,11ah-cyclodeca[b]furan-5-yl 2-methylbut-2-enoate
(1s,2s,3s,5s,7r,8s,9s,11s,13s,14s,15r)-3,7,13-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.0¹,¹⁵.0²,⁸.0⁵,⁹.0⁸,¹³]nonadecan-14-yl acetate
[(2s,9r,10s,11r)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
5,9,10-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-15-yl acetate
7'-hydroxy-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-6-yl acetate
(3as,4r,4ar,5s,7s,7as,8r,9ar)-7-(acetyloxy)-4-hydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-5-yl (2e)-2-methylbut-2-enoate
methyl (4ar,8ar)-7-(1-methoxy-1-oxopropan-2-yl)-8a-methyl-2-[(2-methylbut-2-enoyl)oxy]-6-oxo-1,2,3,4,4a,5-hexahydronaphthalene-1-carboxylate
1-(2h-1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2s)-1-methylpyrrolidin-2-yl]isoquinoline
(1r,4s,4ar,5r,6s,8as)-5-[2-(furan-3-yl)ethyl]-4,6-dihydroxy-5,6-dimethyl-8-oxo-tetrahydro-2h-spiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
3-[(2-methylbut-2-enoyl)oxy]-2-(3,4,5-trimethoxyphenyl)propyl 2-methylbut-2-enoate
3-{[(2e)-2-methylbut-2-enoyl]oxy}-2-(3,4,5-trimethoxyphenyl)propyl (2e)-2-methylbut-2-enoate
8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 3-methylbutanoate
methyl 7-(1-methoxy-1-oxopropan-2-yl)-8a-methyl-2-[(2-methylbut-2-enoyl)oxy]-6-oxo-1,2,3,4,4a,5-hexahydronaphthalene-1-carboxylate
1,4a-dimethyl 5-[2-(5-hydroxy-2-oxo-5h-furan-3-yl)ethyl]-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1,4a-dicarboxylate
[(1r,2s,5s,8r,9r,10s,11r,12r,18r)-9,10,18-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
(1''s,3s,4''r,5'r,6''r,8''s,12''r)-1'',6''-dimethyl-2'',5-dioxodispiro[bis(oxolane)-3,2':5',7''-[3]oxatricyclo[6.3.1.0⁴,¹²]dodecan]-8''-ylmethyl acetate
methyl 4-hydroxy-6-(1-hydroxy-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl)-5-oxo-3,7-dioxabicyclo[4.1.0]heptane-2-carboxylate
8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl 2-methylbutanoate
(3s)-2-[(1r,2s,3s,4r,6r)-4-(acetyloxy)-2-hydroxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl (2z)-2-methylbut-2-enoate
6-[(acetyloxy)methyl]-2-(5-hydroxy-4-methylpent-3-en-1-yl)-9-(5-oxo-2h-furan-3-yl)nona-2,6-dienoic acid
[(1s,2s,5r,8s,9r,10s,11r,12r,15r)-9,10,15-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
1,3-dimethoxy-7-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-methyl-5-(prop-2-en-1-yl)bicyclo[3.2.1]octane-2,8-diol
2-[7-(acetyloxy)-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl]-2-[(2-methylbutanoyl)oxy]propanoic acid
10-[(acetyloxy)methyl]-6-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,8h,11h,11ah-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate
9a-ethoxy-3,4a-dimethyl-4-[(2-methylbut-2-enoyl)oxy]-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-5-carboxylic acid
11-hydroxyfruticolone
{"Ingredient_id": "HBIN000443","Ingredient_name": "11-hydroxyfruticolone","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC1CC(=O)C2(C(C1(C)C(CC3=COC=C3)O)C(CCC24CO4)O)COC(=O)C","Ingredient_weight": "406.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10131","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11361759","DrugBank_id": "NA"}
(1r,3r,4r,5s,6s)-1-acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxybisabola-7(14),10-dien-2-one
{"Ingredient_id": "HBIN003100","Ingredient_name": "(1r,3r,4r,5s,6s)-1-acetoxy-8-angeloyloxy-3,4-epoxy-5-hydroxybisabola-7(14),10-dien-2-one","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "122","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,5s)-3,5-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane
{"Ingredient_id": "HBIN009553","Ingredient_name": "(3r,5s)-3,5-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15109","TCMID_id": "5905","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β-hydroxyfruticolone
{"Ingredient_id": "HBIN013109","Ingredient_name": "7\u03b2-hydroxyfruticolone","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC(=O)OCC12C(C(CCC13CO3)O)C(C(CC2=O)(C)O)(C)CCC4=COC=C4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10129","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8β-hydroxyfruticolone
{"Ingredient_id": "HBIN013668","Ingredient_name": "8\u03b2-hydroxyfruticolone","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC(=O)OCC12C(C(CCC13CO3)O)C(C(CC2=O)(C)O)(C)CCC4=COC=C4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10130","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylamarolide
{"Ingredient_id": "HBIN014447","Ingredient_name": "acetylamarolide","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC1CC(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(=O)O3)C)OC(=O)C)C)C)O","Ingredient_weight": "406.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "312","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "460540","DrugBank_id": "NA"}
Amarolide 11-acetate
{"Ingredient_id": "HBIN015817","Ingredient_name": "Amarolide 11-acetate","Alias": "AIDS-026414; AIDS026414","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC1CC(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(=O)O3)C)OC(=O)C)C)C)O","Ingredient_weight": "406.5 g/mol","OB_score": "13.55345443","CAS_id": "NA","SymMap_id": "SMIT07952","TCMID_id": "NA","TCMSP_id": "MOL006309","TCM_ID_id": "NA","PubChem_id": "460540","DrugBank_id": "NA"}
baiyecrystal b
{"Ingredient_id": "HBIN017531","Ingredient_name": "baiyecrystal b","Alias": "NA","Ingredient_formula": "C22H30O7","Ingredient_Smile": "CC(=O)OC1C2C(CCC3C2(CO1)C4C(CC5CC4(C(C5=C)O)C(=O)O3)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2117","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}