Exact Mass: 324.1533
Exact Mass Matches: 324.1533
Found 500 metabolites which its exact mass value is equals to given mass value 324.1533,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Corylifolinin
Isobavachalcone is a member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4 and a prenyl group at position 3. It has a role as an antibacterial agent, a platelet aggregation inhibitor and a metabolite. It is a polyphenol and a member of chalcones. It is functionally related to a trans-chalcone. Isobavachalcone is a natural product found in Broussonetia papyrifera, Anthyllis hermanniae, and other organisms with data available. See also: Angelica keiskei top (part of). A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4 and a prenyl group at position 3. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1].
Glabranin
Glabranin is a dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. It has a role as a plant metabolite. It is a dihydroxyflavanone and a (2S)-flavan-4-one. It is functionally related to a pinocembrin. Glabranin is a natural product found in Sophora tomentosa, Annona squamosa, and other organisms with data available. A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8. Saponin from licorice (Glycyrrhiza glabra). Glabranin B is found in tea and herbs and spices. Origin: Plant, Pyrans Glabranin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=41983-91-9 (retrieved 2024-07-09) (CAS RN: 41983-91-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Citalopram
Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety; Citalopram belongs to a class of drugs known as selective serotonin reuptake inhibitors (SSRIs). It is sold under the brand-names Celexa (U.S., Forest Laboratories, Inc.), Cipramil, Seropram (Europe and Australia) and Ciazil (Australia); A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Citalopram is an antidepressant drug used to treat depression associated with mood disorders. It is also used on occasion in the treatment of body dysmorphic disorder and anxiety. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Oxyphenbutazone
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 M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Dolasetron
Dolasetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Dolasetron is a highly specific and selective serotonin 5-HT3 receptor antagonist. This drug has not shown to have activity at other known serotonin receptors, and has low affinity for dopamine receptors. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
(R)-Glabridin
(R)-Glabridin is found in herbs and spices. (R)-Glabridin is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). (R)-Glabridin is found in tea and herbs and spices. C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2].
Phaseollidin
Phaseollidin is found in common bean. Phaseollidin is isolated from kidney bean Phaseolus vulgaris, mung bean Phaseolus aureus, rice bean Phaseolus calcaratus, papadi Dolichos biflorus, and hyacinth bean Lablab niger.
Phaseollinisoflavan
Phytoalexin from Phaseolus vulgaris (kidney bean), other Phaseolus subspecies and Glycyrrhiza glabra (licorice). Phaseollinisoflavan is found in many foods, some of which are green bean, yellow wax bean, herbs and spices, and common bean. Phaseollinisoflavan is found in common bean. Phytoalexin from Phaseolus vulgaris (kidney bean), other Phaseolus species and Glycyrrhiza glabra (licorice
5-(galactosylhydroxy)-L-lysine
Galactosylhydroxylysine is released during bone resorption and elevated in subjects with metabolic bone loss. Galactosylhydroxylysine is a sensitive and specific marker of bone resorption. (PMID 10222355).
dolasetron
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Bindarit
Bindarit has been used in trials studying the prevention and treatment of Coronary Restenosis and Diabetic Nephropathy. D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
Escitalopram
Escitalopram is a furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. A furancarbonitrile that is one of the Serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from tardive dyskinesia in preference to tricyclic antidepressants, which aggravate this condition; Escitalopram (Cipralex) is a medication developed by the Danish pharmaceutical company Lundbeck, that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD. In the United States, the drug is marketed under the name Lexapro by Forest Laboratories, Inc; Escitalopram is a medication that acts as a selective serotonin reuptake inhibitor (SSRI). It is typically used as an antidepressant to treat depression associated with mood disorders, although it also may be used in the treatment of body dysmorphic disorder and anxiety, including OCD; Discontinuation from antidepressants, especially abruptly, has been known to cause certain withdrawal symptoms. One possible discontinuation symptom from Escitalopram is a type of spontaneous nerve pulse known as paresthesia or electric shock sensations, described by some patients as a feeling of small electric shocks, which may be accompanied by dizziness. These pulses may be short in duration, only milliseconds long, may affect any region of the body, and recur up to several times a minute, throughout all waking hours. They can be increased by physical activity, but are not solely linked to muscular activity. Other discontinuation symptoms include extreme sensitivity to loud sounds and bright lights, chills, hot flushes, cold sweats, reddening of the face, abdominal pain, weight gain and extreme mental fatigue. [HMDB] N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
Valaciclovir
Valaciclovir (INN) or valacyclovir (USAN) is an antiviral drug used in the management of herpes simplex and herpes zoster (shingles). It is a prodrug, being converted in vivo to aciclovir. It is marketed by GlaxoSmithKline under the trade name Valtrex or Zelitrex. [Wikipedia] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
(S)-5,7-Dihydroxy-6-prenylflavanone
(S)-5,7-Dihydroxy-6-prenylflavanone is found in herbs and spices. (S)-5,7-Dihydroxy-6-prenylflavanone is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). (S)-5,7-Dihydroxy-6-prenylflavanone is found in tea and herbs and spices.
(E)-2',4,4'-Trihydroxy-3-prenylchalcone
(E)-2,4,4-Trihydroxy-3-prenylchalcone is found in herbs and spices. (E)-2,4,4-Trihydroxy-3-prenylchalcone is a constituent of hairy root cultures of Glycyrrhiza glabra (licorice)
Monoacetoxyscirpenol
Monoacetoxyscirpenol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
Blumealactone C is found in tea. Blumealactone C is a constituent of Blumea balsamifera (sambong) Constituent of Blumea balsamifera (sambong). Blumealactone C is found in tea.
4-Acetoxyscirpene-3,15-diol
4-Acetoxyscirpene-3,15-diol is a mycotoxin from Fusarium roseum and Fusarium sulphureu D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Mycotoxin from Fusarium roseum and Fusarium sulphureum
Moracin I
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin I is found in mulberry and fruits. Moracin I is found in fruits. Moracin I is isolated from Morus alba (white mulberry) infected with Fusarium solani.
AF Toxin II
AF Toxin II is found in fruits. AF Toxin II is produced by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. Production by Alternaria alternata on strawberry. Phytotoxin specific to strawberry and pear. AF Toxin II is found in pomes and fruits.
6-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,14-diol
3-Acetoxyscirpene-4,15-diol
3-Acetoxyscirpene-4,15-diol is a metabolite of Fusarium oxysporum. Mycotoxi
5-(Galactosylhydroxy)-L-Lysine
(2S,5R)-2,6-Diamino-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Component of collagen
4-Butyl-5-hydroxy-2-(4-hydroxyphenyl)-1-phenyl-1H-pyrazol-3(2H)-one
Bavachalcone
Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1]. Isobavachalcone (Corylifolinin) is derived from Psoralea corylifolia Linn. and is a potent inhibitor of Akt signaling pathway, which induces apoptosis in human cancer cells (Inhibits OVCAR-8 cell growth with an IC50 value of 7.92 μM). Isobavachalcone also induces Reactive Oxyen Species (ROS) generation in OVCAR-8 cells and has exhibit cancer anti-promotive and anti-proliferative activity[1].
7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
epsilon-Deoxy-fructosyl-lysine
galactosyl hydroxylysine
1,2-Diphenyl-3,5-dioxo-4-(3-hydroxybutyl)pyrazolidine
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
D-Valacyclovir
O-Galactosyl-5-hydroxylysine
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent EAWAG_UCHEM_ID 2901; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 2901 CONFIDENCE standard compound; INTERNAL_ID 8590 D049990 - Membrane Transport Modulators
Glabridin
Glabridin is a member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2 and 4 and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. It has a role as an antiplasmodial drug. It derives from a hydride of a (R)-isoflavan. Glabridin is a natural product found in Ornithopus sativus, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza Glabra (part of). C26170 - Protective Agent > C275 - Antioxidant > C306 - Bioflavonoid Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2]. Glabridin is a natural isoflavan from Glycyrrhiza uralensis, binds to and activates PPARγ, with an EC50 of 6115 nM. Glabridin exhibits antioxidant, anti-bacterial, anti-nephritic, anti-diabetic, anti-fungal, antitumor, anti-inflammatory, antiosteoporotic, cardiovascular protective, neuroprotective and radical scavenging activities[1][2].
Bavachalcone
Bavachalcone is a member of chalcones. Bavachalcone is a natural product found in Broussonetia papyrifera, Cullen corylifolium, and Sophora prostrata with data available. Bavachalcone is a compound isolated from psoralen. It is widely used in traditional Chinese medicine and has antibiotic and anti-cancer activities. Bavachalcone is a compound isolated from psoralen. It is widely used in traditional Chinese medicine and has antibiotic and anti-cancer activities.
Calocarpin
4alpha,10alpha-Hydroxy-8-acetoxy-1alpha,5alpha,11betaH-guaia-2-en-12,6alpha-olide
Flemistrictin E
Flemistrictin F
14-Acetoxy-5alpha-hydroperoxy-11alpha,13-dihydroisoalantolactone
2-[[2-(3,5-dihydroxy-4-isopropyl-phenyl)-2-guanidino-acetyl]amino]acetic acid
3alpha-Hydroxy-8alpha-acetoxy-3-desoxo-11beta,13-dihydroparishin A
(1S,5R,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-4-oxo-2-cyclohexen-1-yl (2E)-2-methyl-2-butenoate
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(4-methylpiperazino)acetamide
NPE_325.1547_12.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1101
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate
3-Tigloyl,7-Ac-(3beta,5alpha)-3,5,7-Trihydroxy-p-menth-1-en-6-one|7-Acetoxy-5alpha-hydroxy-3beta-tigloyloxycarvotacetone
Me glycoside-4-O-alpha-L-Rhamnopyranosyl-L-rhamnose|Me glycoside-4-O-beta-L-Rhamnopyranosyl-L-rhamnose
1-O-beta-D-fructofuranosyl-2R,5R-dihydroxymethyl-3R,4R-dihydroxypyrrolidine
11alpha-hydroxycinnamosmolide|9alpha,11alpha-dihydroxy,6beta-acetyl-cinnamolide
8alpha,10beta-dihydroxy-11alpha-acetoxyslov-3-enolide
15-O-acetyl-3-deoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
(1S,4S,5S,6S,7S,10R)-1,4-dihydroxy-15-acetoxyeudesm-11(13)-en-6,12-olide
1,2-Dihydro-(Z,Z)-1,15-Diisothiocyanato-1,14-pentadecadiene
6-Methyl-2-oxo-tetrahydro-pyran-3-carbonsaeure-(N,N-diphenyl-hydrazid)|6-methyl-2-oxo-tetrahydro-pyran-3-carboxylic acid-(N,N-diphenyl-hydrazide)
3-Ethyl-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9,10,11-trione
2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-4-(3-methoxy-1oxobutyl)-2-methylfuran-3(2H)-one|huaspenone A
3beta-acetoxy-1beta,10alpha-epoxy-15-hydroxygermacra-4Z-en-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide C
3beta-acetoxy-1alpha,15-dihydroxygermacra-4Z,9Z-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide A
15-acetoxy-1beta,3beta-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide E
3beta-acetoxy-1beta,15-dihydroxygermacra-4Z,10(14)-dien-6beta,7alpha,11alphaH-12,6-olide|zawadskinolide F
10-oxo-10-(2,3,5-trihydroxy-4-methylphenyl)decanoic acid
5-Ethyl-7,12-ethano-6,5-(iminopropano)-6-hydroxy-2,3,4,5,6,7-hexahydro-1H-1-benzoazonine-13,17(7)-diene-2,16-dione
3alpha-acetoxy-1alpha,8beta-dihydroxyeudesm-7(11)-en-8,12-olide
(?)-(2R,3R,5S,6S,7R,8S,11S)-8-acetoxy-3,4-dihydroxyguai-11-H-1(10)-en-6,12-olide|argyinolide F
(7S,11S)-(+)-12-acetoxysydonic acid|4-[(2S,6S)-7-acetoxy-2-hydroxy-6-methylheptan-2-yl]-3-hydroxybenzoic acid
6alpha-acetoxy-1beta,4alpha-dihydroxy-eudesm-11(13)-en-12,8alpha-olide
Me glycoside-3-O-alpha-L-Rhamnopyranosyl-L-rhamnose
(5R,6R,7R,8S,10S,11S)-8-acetoxy-14,15-dihydroxyelema-1,3-dien-6,12-olide
1-acetoxy-6alpha,14-dihydroxy-4alphaH-1,10-secoeudesma-5(10),11(13)-dien-12,8beta-olide
Methyl (3S,5S)-5-Hydroxy-3-(beta-D-glucopyranosyloxy)hexanoate|Methyl-(3S,5S)-5-hydroxy-3-(??-D-glucopyranosyloxy) hexanoate
5alpha-hydroperoxy-9beta-acetoxyeudesm-4(15),11(13)-dien-12-oic acid
2-(2-Methoxy-4-methylphenyl)glycerol 1-isobutyrate 3-acetate
1-Ac-1,5,8-Trihydroxy-4(15)-eudesmen-12,6-olide|1alpha-acetoxy-5beta,8alpha-dihydroxyeudesm-4(15)-en-6beta,11betaH-12,6-olide
Citalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1513 CONFIDENCE standard compound; INTERNAL_ID 4118
Bindarit
D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C29629 - Combination Medication > C29634 - Antirheumatic Preparation D000893 - Anti-Inflammatory Agents Bindarit (AF2838) is a selective inhibitor of the monocyte chemotactic proteins MCP-1/CCL2, MCP-3/CCL7, and MCP-2/CCL8, and no effect on other CC and CXC chemokines such as MIP-1α/CCL3, MIP-1β/CCL4, MIP-3/CCL23. Bindarit also has anti-inflammatory activity[1].
C17H24O6_2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)
Escitalopram
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
[(1R,5S,6S)-5-acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate_major
4-(8-prop-1-en-2-yl-3,4,8,9-tetrahydro-2H-furo[2,3-h]chromen-3-yl)benzene-1,3-diol_major
Lexapro
Escitalopram ((S)-Citalopram), the S-enantiomer of racemic Citalopram, is a selective serotonin reuptake inhibitor (SSRI) with a Ki of 0.89 nM. Escitalopram has ～30 fold higher binding affinity than its R(-)-enantiomer and shows selectivity over both dopamine transporter (DAT) and norepinephrine transporter (NET). Escitalopram is an antidepressant for the research of major depression[1][2].
AF Toxin II
3-Acetoxyscirpene-4,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Blumealactone C
4-Acetoxyscirpene-3,15-diol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Deacetylanguidin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
amphotalide
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
3-Ethyl-1,1,1,5,5,5-hexamethyl-3-trimethylsilanyloxy-trisiloxane
Glyoctamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
1,1,3-TRIMETHYL-3-PHENYLINDAN-4,5-DICARBOXYLIC ACID
TERT-BUTYL SPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE HYDROCHLORIDE
1-(2-THIOPHEN-2-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]benzamide
4-CHLORO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-OL
1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
N-PYRIDIN-4-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
2-((4-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE
Benzoic acid, 2-amino-4-Methoxy-5-[3-(4-Morpholinyl)propoxy]-, Methyl ester
1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, METHYL ESTER
1,5-Diphenyl-3-(2-phenylvinyl)-4,5-dihydro-1H-pyrazole
Propylene glycol, fumaric acid, dicyclopentadiene polymer
N,N-dimethyl-1-(1,3,7,9-tetradeuteriophenothiazin-10-yl)propan-2-amine,hydrochloride
3-chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester
1-benzyloxy-3-propionyloxy-2-(propionyloxy)methoxypropane
N-Pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
Des(diethylaMinoethyl)-didesiodo-1-Methoxy AMiodarone
CARBINOL (HYDROXYL) TERMINATED POLYDIMETHYLSILOXANE
1H-BenziMidazole-7-carboxaMide, 2-[(2S)-2-Methyl-2-pyrrolidinyl]-, hydrochloride (1:2)
4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene
2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate
((2S)-1-(-2-NITROVINYL)-2,3-DIPHENYLPYRROLIDIN-2-YL)METHANOL
4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
1,2,3,4-Butanetetrol,1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]-2-pyrazinyl]-, (1R,2S,3R)-
2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
6-Hydroxy-3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepine-7-carboxylic acid
7-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
1-[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidine
5-[4-Tert-butylphenylsulfanyl]-2,4-quinazolinediamine
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-6-isobutoxybenzenolate
Valacyclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Ditazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
phaseollidin
Phaseollidin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Phaseollidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phaseollidin can be found in a number of food items such as hyacinth bean, lima bean, yellow wax bean, and scarlet bean, which makes phaseollidin a potential biomarker for the consumption of these food products.
[11-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-10-yl] acetate
(2E)-4-{methyl[3-phenyl-3-(pyridin-2-yl)propyl]amino}-4-oxobut-2-enoic acid
3alpha-Acetoxy-7alpha,15-dihydroxy-12,13-epoxytrichothec-9-ene
(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6-diamino-5-hydroxyhexanoate
2,6-diamino-2-[3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
8-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
6-Amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Guignardone N
A meroterpenoid found in Guignardia and Fusarium species and shown to exhibit inhibitory activity against Candida albicans growth.
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
(-)-Phaseolin
A prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6,5:4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans.
3-Methyl-N-[(E)-[4-[(4-methylpyridin-2-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
N-[5-[2-(4-morpholinyl)ethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
(4-Benzyl-piperazin-1-yl)-(4-nitro-benzylidene)-amine
N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
[4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium
(6E)-8-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2,6-dimethyloct-6-enoic acid
3-(5-Hydroxy-2,2-dimethylchromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one
5,6-dihydroxy-1-[(2S)-4-phenylbutan-2-yl]indole-7-carboxamide
(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[(hydroxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate
(Z)-1,2-Bis(fluorodimethylsilyl)-1,2-bis(trimethylsilyl)ethylene
G-29701
A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. 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 M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 Oxyphenbutazone is a Phenylbutazone (HY-B0230) metabolite, with anti-inflammatory effect. Oxyphenbutazone is an orally active non-selective COX inhibitor. Oxyphenbutazone selectively kills non-replicating Mycobaterium tuberculosis[1][2].
Anzemet
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Dolasetron(MDL-73147) is a serotonin 5-HT3 receptor antagonist used to treat nausea and vomiting following chemotherapy.
Tetraneurin E
A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively.
Desacetylanguidine
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(2S)-6-amino-2-{N-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoic acid
Nitracrine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000970 - Antineoplastic Agents
(-)-Phaseollinisoflavan
A member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2H-3,6-bichromene substituted by two methyl groups at positions 2 and 2 and hydroxy groups at positions 5 and 7 respectively.
yanuthone I
A class I yanuthone that is 5,6-epoxy-4-hydroxy-3-hydroxymethylcyclohex-2-en-1-one which is substituted at position 6 by a (2E)-7-carboxy-3-methyloct-2-en-1-yl group (the R,R,R stereoisomer).
(2z)-2-[(1-hydroxy-4-oxocyclohexyl)methyl]-3-[(4-methoxyphenyl)methyl]but-2-enedinitrile
(2s)-5-hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
5-(acetyloxy)-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl 2-methylbut-2-enoate
5-methoxy-2,2-dimethyl-6-(3-methylbuta-1,3-dien-1-yl)pyrano[2,3-h]chromen-8-one
2-(4-hydroxy-2-methoxyphenyl)-5-(3-methylbut-2-en-1-yl)-1-benzofuran-6-ol
(1ar,2s,4ar,5s,6s,7as)-6-hydroxy-7a-(3-hydroxyprop-1-en-2-yl)-3,3,5-trimethyl-7-oxo-tetrahydro-2h-indeno[4,3a-b]oxiren-2-yl acetate
8-(7-hydroxy-3,4-dihydro-2h-1-benzopyran-3-yl)-2,2-dimethylchromen-5-ol
5,7-dihydroxy-8-(3-methylbut-1-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
4,11,13-trihydroxy-11-(hydroxymethyl)-3-methyl-6-(prop-1-en-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
3-hydroxy-2,4-dimethyl-5-oxo-6-(3,5,6-trimethyl-4-oxopyran-2-yl)heptanoic acid
(3s)-6,8-dihydroxy-3-[(6r)-6-hydroxyheptyl]-3,4-dihydro-1h-2-benzopyran-7-carboxylic acid
(2e)-1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-phenylprop-2-en-1-one
(1r,10r)-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol
(2s,4r)-11-hydroxy-4-methyl-9-(2-phenylethyl)-6-oxatricyclo[5.4.0.0²,⁴]undeca-1(11),7,9-triene-10-carboxylic acid
6,9-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(1r)-8-hydroxy-1,5,15-trimethyl-4,7,12-trioxapentacyclo[8.5.0.0³,⁵.0³,⁸.0¹¹,¹³]pentadecan-14-yl acetate
6,8-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,6ah,7h,8h,9bh-azuleno[4,5-b]furan-4-yl acetate
4b,9-dihydroxy-7-methoxy-11,11-dimethyl-10h,10ah-benzo[b]fluoren-5-one
7-hydroperoxy-3,10-dimethyl-6-methylidene-2-oxo-3h,3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-5-yl acetate
(1s,4r,6r,8s,9z,11r,14r)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate
methyl 14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraene-10-carboxylate
(1s,4r,6r,8s,11r,14r)-9-(hydroxymethyl)-4,14-dimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-8-yl acetate
(4e,6e)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
8,9-dihydroxy-3,6,9-trimethyl-2-oxo-3h,3ah,4h,5h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
1-[(1's,2'r,3r,7'r,9's)-2-hydroxy-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-6'-yl]ethanone
5-{6,7-dimethyl-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-5-yl}-2h-1,3-benzodioxole
5,8-dihydroxy-5,8-dimethyl-3-methylidene-2-oxo-octahydroazuleno[6,5-b]furan-7-yl acetate
7-hydroxy-3-isopropyl-5,5,9-trimethylanthracene-1,2,6-trione
(3ar,4r,4as,5r,7r,7ar,8r,9as)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
6-[9-(furan-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
ethyl 2-[7-hydroxy-5-(hydroxymethyl)-1,5-dimethyl-9-oxo-10-oxatricyclo[4.4.0.0²,⁴]decan-8-ylidene]propanoate
5,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-4-yl acetate
(1r,5r,5as,9as,9bs)-1,9b-dihydroxy-6,6,9a-trimethyl-3-oxo-1h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl acetate
2-[3-hydroxy-5-methoxy-4-(3-methylbut-2-en-1-yl)phenyl]-1-benzofuran-6-ol
(3ar,4s,5ar,6r,9r,9as,9bs)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl acetate
(1r,5s,6s)-5-(acetyloxy)-3-(hydroxymethyl)-6-isopropyl-2-oxocyclohex-3-en-1-yl (2e)-2-methylbut-2-enoate
(3as,6s,6ar,9s,9as,9br)-6a-hydroxy-9a-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-octahydroazuleno[4,5-b]furan-9-yl acetate
(2s)-7-hydroxy-8-[(1z)-3-hydroxy-3-methylbut-1-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
5-[(1e)-prop-1-en-1-yl]-2-(2,4,6-trimethoxyphenyl)-1-benzofuran
(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid
{"Ingredient_id": "HBIN006774","Ingredient_name": "(2s)-6-amino-2-[(3ar*,4s*,7r*,7as*)-3a,7a-dimethyl-1,3-dioxo-4,7-epoxyoctahydroisoindol-2-yl]-hexanoicacid","Alias": "NA","Ingredient_formula": "C16H24N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1050","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ajuforrestine a
{"Ingredient_id": "HBIN014959","Ingredient_name": "ajuforrestine a","Alias": "NA","Ingredient_formula": "C20H20O4","Ingredient_Smile": "CC1=C(C2=CC(=O)C3=C(C4=C(C(=C3C2(CC1)C)O)OC=C4C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "786","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer diarylheptanoid pmv70p691-010
{"Ingredient_id": "HBIN016318","Ingredient_name": "anticancer diarylheptanoid pmv70p691-010","Alias": "NA","Ingredient_formula": "C20H20O4","Ingredient_Smile": "COC1=C(C=C2CCC3C(C2=C1)C=CC(O3)C4=CC=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1393","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
avicennin
{"Ingredient_id": "HBIN017404","Ingredient_name": "avicennin","Alias": "NA","Ingredient_formula": "C20H20O4","Ingredient_Smile": "CC(=C)C=CC1=C(C2=C(C3=C1OC(=O)C=C3)OC(C=C2)(C)C)OC","Ingredient_weight": "324.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2035","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5321265","DrugBank_id": "NA"}
bavachin
{"Ingredient_id": "HBIN017632","Ingredient_name": "bavachin","Alias": "NA","Ingredient_formula": "C20H20O4","Ingredient_Smile": "CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)C","Ingredient_weight": "324.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2172","TCMSP_id": "NA","TCM_ID_id": "6419","PubChem_id": "26436537","DrugBank_id": "NA"}
