Exact Mass: 606.2676
Exact Mass Matches: 606.2676
Found 447 metabolites which its exact mass value is equals to given mass value 606.2676
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cepharanthine
Cepharanthine is a bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. It is a member of isoquinolines and a bisbenzylisoquinoline alkaloid. Cepharanthine is a natural product found in Stephania sinica, Stephania cephalantha, and other organisms with data available. A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D020011 - Protective Agents > D011837 - Radiation-Protective Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids Cepharanthine is a natural product that can be isolated from the plant Stephania?cephalantha?Hayata. Cepharanthine has anti-severe acute respiratory syndrome coronavirus 2 (anti-SARS-CoV-2) activities. Cepharanthine has good effective in suppressing viral proliferation (half maximal (50\\%) inhibitory concentration (IC50) and 90\\% inhibitory concentration (IC90) values of 1.90 and 4.46?μM[1]. Cepharanthine can also effectively reverses P-gp-mediated multidrug resistance in K562 cells and increase enhances the sensitivity of anticancer agents in xenograft mice model[2][3]. Cepharanthine shows inhibitory effects of human liver cytochrome P450 enzymes CYP3A4, CYP2E1 and CYP2C9. Cepharanthine has antitumor, anti-inflammatory and antinociceptive effects[4][5][6][7][8]. Cepharanthine is a natural product that can be isolated from the plant Stephania?cephalantha?Hayata. Cepharanthine has anti-severe acute respiratory syndrome coronavirus 2 (anti-SARS-CoV-2) activities. Cepharanthine has good effective in suppressing viral proliferation (half maximal (50\%) inhibitory concentration (IC50) and 90\% inhibitory concentration (IC90) values of 1.90 and 4.46?μM[1]. Cepharanthine can also effectively reverses P-gp-mediated multidrug resistance in K562 cells and increase enhances the sensitivity of anticancer agents in xenograft mice model[2][3]. Cepharanthine shows inhibitory effects of human liver cytochrome P450 enzymes CYP3A4, CYP2E1 and CYP2C9. Cepharanthine has antitumor, anti-inflammatory and antinociceptive effects[4][5][6][7][8].
Bruceantinol
Bruceantinol is a triterpenoid. Bruceantinol is a natural product found in Brucea javanica with data available.
Fulvestrant
Fulvestrant is a drug treatment of hormone receptor-positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrogen receptor. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2116 - Selective Estrogen Receptor Down Regulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
Phaeophorbide b
Phaeophorbide b is found in brassicas. Phaeophorbide b is a constituent of various plant species including Brassica species
Cepharanthine
13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
PA(8:0/5-iso PGF2VI)
PA(8:0/5-iso PGF2VI) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(8:0/5-iso PGF2VI), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(5-iso PGF2VI/8:0)
PA(5-iso PGF2VI/8:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(5-iso PGF2VI/8:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of octanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
5-alpha-4,5-Dihydro-scillirosidin 3-O-alpha-L-quinovopyranoside
Methyl phaeophorbide
Methyl pheophorbide a is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Methyl pheophorbide a can be found in japanese persimmon, which makes methyl pheophorbide a a potential biomarker for the consumption of this food product.
[(1R,3R,5S,7S,8S,9R,10R)-7,9,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.0^{3,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
2alpha,4alpha,7beta,9alpha,1alpha,15-hexahydroxy-5alpha,20-diacetoxy-10beta-benzoxy-11(15->1)abeotaxa-11-ene|taxuyunnanine U
(3E,5E,7R,84S)-12c-acetoxy-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5-diene-82,14-dione|ansamitocin P1|C-15003 P-1,Maytanacin|Maytanacin (6)|Maytanacine|O3-acetyl-maytansinol
13-hydroxyblumenol C apiosyl-2-malonylglucoside|4-[3-(2-O-beta-apiofuranosyl-6-O-malonyl-beta-glucopyranosyloxy)-butyl]-3-(hydroxymethyl)-5,5-dimethyl-2-cyclohexen-1-one
3beta,5alpha,8alpha,15beta-tetraacetoxy-7beta-propionyloxyjatropha-6(17),11E-diene-4,14-dione
6-Methoxy-3,4-(methylene(2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1,7-diyl)oxy(1-oxo-2-methyl-5,6-(epoxymethanoxy)-1,2-dihydro-3H-isoindole-4,3-diyl)methylene)(1,1-oxybisbenzene)
6,12-dimethoxy-2,2-dimethyl-6,8alpha-(1-oxa-ethane-1,2-diyl)-8H-berbaman-7-one|Pseudorepandulin|pseudorepanduline
(1S,4R,5S,6R,7R,8R,9S,10S)-6-acetoxy-1,9-dibenzoyloxy-8-butyryloxydihydro-beta-agarofuran
5alpha-cinnamoyloxy-2alpha,10beta,13alpha-triacetoxy-2(3->2)abeo-taxa-4(20),11-dien-9-one
1alpha,2alpha-di-(alpha-methyl)-butanoyloxy-4beta-hydroxy-9beta-(beta-)furoyloxy-15-acetoxy-beta-dihydroagarofuran|1??,2??-Di-(a-methyl)-butanoyl-4??-hydroxy-9??-(??-)furoyloxy-15-acetoxy-??-dihydroagarofuran
phorbol 20-trityl|phorbol 20-tritylether|phorbol-20-trityl ether|Phorbol-20-tritylaether
11,17-dimethoxy-18-(3,4,5-trimethoxy-benzoyloxy)-yohimb-19-ene-16-carboxylic acid methyl ester|11,17alpha-Dimethoxy-18beta-(3,4,5-trimethoxy-benzoyloxy)-3beta-yohimb-19-en-16beta-carbonsaeure-methylester|11,17alpha-dimethoxy-18beta-(3,4,5-trimethoxy-benzoyloxy)-3beta-yohimb-19-ene-16beta-carboxylic acid methyl ester|Raujemidin|Raujemidine.
(1R,2S,4S,5S,6R,7R,8S,9S,10S)-1,2-diacetoxy-9-benzoyloxy-15-(2-methylbutyroyloxy)-4,6,8-trihydroxydihydro-beta-agarofuran
1alpha,2alpha,6beta,13-tetraacetoxy-9alpha-benzoyloxy-4beta,6beta-dihydroxy-beta-dihydroagarofuran|ejaponine B
NCI60_003881
Methyl phaeophorbide is a natural product found in Saussurea medusa with data available.
Taxinin
Taxinine is a natural product found in Taxus wallichiana, Taxus baccata, and other organisms with data available.
Fulvestrant
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2116 - Selective Estrogen Receptor Down Regulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
C32H46O11_Carda-4,20(22)-dienolide, 6-(acetyloxy)-3-[(6-deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-dihydroxy-, (3beta,8xi,9xi)
Cys Ile Trp Trp
Cys Leu Trp Trp
Cys Trp Ile Trp
Cys Trp Leu Trp
Cys Trp Trp Ile
Cys Trp Trp Leu
Asp Phe Tyr Tyr
Asp Met Arg Trp
Asp Met Trp Arg
Asp Arg Met Trp
Asp Arg Trp Met
Asp Thr Trp Trp
Asp Trp Met Arg
Asp Trp Arg Met
Asp Trp Thr Trp
Asp Trp Trp Thr
Asp Tyr Phe Tyr
Asp Tyr Tyr Phe
Glu Ser Trp Trp
Glu Trp Ser Trp
Glu Trp Trp Ser
Phe Asp Tyr Tyr
Phe Phe Phe Phe
Phe Phe Met Tyr
Phe Phe Tyr Met
Phe Met Phe Tyr
Phe Met Tyr Phe
Phe Tyr Asp Tyr
Phe Tyr Phe Met
Phe Tyr Met Phe
Phe Tyr Tyr Asp
His His Lys Trp
His His Gln Trp
His His Trp Lys
His His Trp Gln
His Lys His Trp
His Lys Trp His
His Gln His Trp
His Gln Trp His
His Trp His Lys
His Trp His Gln
His Trp Lys His
His Trp Gln His
Ile Cys Trp Trp
Ile Trp Cys Trp
Ile Trp Trp Cys
Lys His His Trp
Lys His Trp His
Lys Trp His His
Leu Cys Trp Trp
Leu Trp Cys Trp
Leu Trp Trp Cys
Met Asp Arg Trp
Met Asp Trp Arg
Met Phe Phe Tyr
Met Phe Tyr Phe
Met Met Tyr Tyr
Met Arg Asp Trp
Met Arg Trp Asp
Met Trp Asp Arg
Met Trp Arg Asp
Met Tyr Phe Phe
Met Tyr Met Tyr
Met Tyr Tyr Met
Gln His His Trp
Gln His Trp His
Gln Trp His His
Arg Asp Met Trp
Arg Asp Trp Met
Arg Met Asp Trp
Arg Met Trp Asp
Arg Trp Asp Met
Arg Trp Met Asp
Ser Glu Trp Trp
Ser Trp Glu Trp
Ser Trp Trp Glu
Thr Asp Trp Trp
Thr Trp Asp Trp
Thr Trp Trp Asp
Val Tyr Tyr Tyr
Trp Cys Ile Trp
Trp Cys Leu Trp
Trp Cys Trp Ile
Trp Cys Trp Leu
Trp Asp Met Arg
Trp Asp Arg Met
Trp Asp Thr Trp
Trp Asp Trp Thr
Trp Glu Ser Trp
Trp Glu Trp Ser
Trp His His Lys
Trp His His Gln
Trp His Lys His
Trp His Gln His
Trp Ile Cys Trp
Trp Ile Trp Cys
Trp Lys His His
Trp Leu Cys Trp
Trp Leu Trp Cys
Trp Met Asp Arg
Trp Met Arg Asp
Trp Gln His His
Trp Arg Asp Met
Trp Arg Met Asp
Trp Ser Glu Trp
Trp Ser Trp Glu
Trp Thr Asp Trp
Trp Thr Trp Asp
Trp Trp Cys Ile
Trp Trp Cys Leu
Trp Trp Asp Thr
Trp Trp Glu Ser
Trp Trp Ile Cys
Trp Trp Leu Cys
Trp Trp Ser Glu
Trp Trp Thr Asp
Tyr Asp Phe Tyr
Tyr Asp Tyr Phe
Tyr Phe Asp Tyr
Tyr Phe Phe Met
Tyr Phe Met Phe
Tyr Phe Tyr Asp
Tyr Met Phe Phe
Tyr Met Met Tyr
Tyr Met Tyr Met
Tyr Val Tyr Tyr
Tyr Tyr Asp Phe
Tyr Tyr Phe Asp
Tyr Tyr Met Met
Tyr Tyr Val Tyr
Tyr Tyr Tyr Val
1,25-Dihydroxy-20S-21-(3-hydroxy-3-methylbutyl)-23-yne-26,27-hexafluorovitamin D3
Pheophorbide b
Protoporphyrin disodium
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C26170 - Protective Agent > C2081 - Hepatoprotective Agent D003879 - Dermatologic Agents
2-[(1E,3E)-5-(3,3-DIMETHYL-1-PHENYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-3,3-DIMETHYL-1-PHENYL-3H-INDOLIUM PERCHLORATE
17-methoxy-10,12-dimethyl-18-(3,4,5-trimethoxy-benzoyloxy)-yohimbane-16-carboxylic acid methyl ester
(((9H-FLUORENE-9,9-DIYL)BIS(4,1-PHENYLENE))BIS(OXY))BIS(2-HYDROXYPROPANE-3,1-DIYL) DIACRYLATE
2,19-Methano-3,7:4,1-dimetheno-1H,11H-14,10,2,9,11,17-benzoxathiatetraazacyclodocosine-8,18(9H,15H)-dione, 27-cyclohexyl-12,13,16,17-tetrahydro-22-methoxy-11,17-dimethyl-, 10,10-dioxide
(3S-(3alpha,4beta,21beta))-14-Ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionic acid
3-[(21S,22S)-16-ethenyl-11-ethyl-12-formyl-4-hydroxy-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(21S,22S)-11,16-bis(ethenyl)-4-hydroxy-12-(hydroxymethyl)-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
3-[(12E)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaen-22-yl]propanoic acid
4-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-3-phenyl-propionylamino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid, ethyl ester
N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-(3-methylphenyl)sulfonyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
1-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
(7R,8S,9S,13S,14R,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
(2S)-2-[[(2S)-2-[[4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
(7R,8R,9R,13R,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
13-Methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
(1r,8r,10r)-2,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
(1r,2s,4s,5s,13s)-14'-hydroxy-8,10',15'-trimethoxy-14-methyl-6,12'-dioxa-4',14-diazaspiro[pentacyclo[9.5.1.0¹,⁵.0²,¹³.0⁷,¹⁷]heptadecane-4,3'-pentacyclo[9.7.2.0⁴,¹⁹.0⁷,²⁰.0¹³,¹⁸]icosane]-1'(19'),7(17),7'(20'),8,8',10,10',13',15',17'-decaen-2'-one
(3s,3ar,4s,6s,7s,8s)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2z)-2-methylbut-2-enoyl]oxy}-2-oxo-4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-7-yl (2z)-2-methylbut-2-enoate
(1s,2s,4s,5r,6s,7s,8s,9s,12r)-4,5,8-tris(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-methoxy-3-[4-({11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),10,14,16(21)-hexaen-5-yl}methyl)phenoxy]benzaldehyde
(7s)-7-[(2e)-3-carboxy-3-methylprop-2-en-1-yl]-14-hydroxy-9-methoxy-5,5,16,16,17-pentamethyl-20-(3-methylbut-2-en-1-yl)-12-oxo-2,6,18-trioxapentacyclo[11.7.0.0³,¹¹.0⁴,⁸.0¹⁵,¹⁹]icosa-1(20),3,8,10,13,15(19)-hexaene-7-carboxylic acid
3-[(3r,21s,22s)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-3-(methoxycarbonyl)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
(1r,3r,5s,7s,8s,9r,10r)-7,9,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-5-yl (2e)-3-phenylprop-2-enoate
(1r,3r,5r,6as,7r,8r,10s,10as)-1,3,5-tris(acetyloxy)-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl (2e)-3-phenylprop-2-enoate
(13s)-5-hydroxy-19,20,24-trimethoxy-14-methyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.3.2⁸,¹¹.1²,⁶.1¹³,¹⁷.0²⁶,³¹.0²¹,³³]hexatriaconta-1(29),2,4,6(36),8,10,17(33),18,20,23(32),24,26(31),34-tridecaen-30-one
4-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-7-(hydroxymethyl)-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
2,10,13-tris(acetyloxy)-8,12,15,15-tetramethyl-9-oxotricyclo[9.3.1.1⁴,⁸]hexadeca-3,11-dien-5-yl 3-phenylprop-2-enoate
methyl 3-{[4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate
9-hydroxy-20,21,25-trimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,14,18(33),19,21,24(32),25,27(31),35-tridecaen-13-one
2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-[(2-methylpropanoyl)oxy]-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylpropanoate
(1s,2s,3ar,5r,10r,11s,13r,13ar)-3a,11,13-tris(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1h,2h,3h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl acetate
{[(4e,6z,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-21-(methylsulfanyl)-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid
(2s,3as,6r,7as)-n-(1-carbamimidoylpyrrolidin-2-yl)-1-[(2r)-2-{[(2r)-3-(3-chloro-4-hydroxyphenyl)-1,2-dihydroxypropylidene]amino}-4-methylpentanoyl]-6-hydroxy-octahydroindole-2-carboximidic acid
(1s,3s,5s,6ar,7s,8s,10r,10ar)-1,3,5-tris(acetyloxy)-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl (2e)-3-phenylprop-2-enoate
(4s)-1-[(4as,5r,6s)-5-ethenyl-1-oxo-6-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h,6h-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate
{[13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-21-(methylsulfanyl)-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl]oxy}methanimidic acid
3-[(3r,21s,22s)-16-ethenyl-11-ethyl-12-formyl-3-(methoxycarbonyl)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propanoic acid
17-(acetyloxy)-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.0²,¹¹.0⁶,¹⁰.0¹⁶,²⁰]icos-9-en-12-yl benzoate
1-deacetylnimbolinin a
{"Ingredient_id": "HBIN002467","Ingredient_name": "1-deacetylnimbolinin a","Alias": "NA","Ingredient_formula": "C35H42O9","Ingredient_Smile": "CC1=C2C(CC1C3=COC=C3)OC(CC4C2(C(C5C6C4(C(CC(C6(CO5)C)OC(=O)C)O)C)OC(=O)C7=CC=CC=C7)C)O","Ingredient_weight": "606.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4754","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100945036","DrugBank_id": "NA"}
1- o -deacetylnimbolinin a
{"Ingredient_id": "HBIN002895","Ingredient_name": "1- o -deacetylnimbolinin a","Alias": "NA","Ingredient_formula": "C35H42O9","Ingredient_Smile": "NA","Ingredient_weight": "606.711","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9732","PubChem_id": "NA","DrugBank_id": "NA"}
ajugacumbin e
{"Ingredient_id": "HBIN014965","Ingredient_name": "ajugacumbin e","Alias": "NA","Ingredient_formula": "C31H42O12","Ingredient_Smile": "CC1CC(C2(C(C1(C)CCC3=CC(=O)OC3)C(CC(C24CO4)OC(=O)C)OC(=O)C)COC(=O)C(=C)C(C)O)OC(=O)C","Ingredient_weight": "606.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14204","TCMID_id": "792","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14781375","DrugBank_id": "NA"}