Exact Mass: 405.1971872
Exact Mass Matches: 405.1971872
Found 500 metabolites which its exact mass value is equals to given mass value 405.1971872
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Clomifene
C26H28ClNO (405.18593080000005)
Clomifene is only found in individuals that have used or taken this drug. It is a triphenyl ethylene stilbene derivative which is an estrogen agonist or antagonist depending on the target tissue. [PubChem]Clomifene has both estrogenic and anti-estrogenic properties, but its precise mechanism of action has not been determined. Clomifene appears to stumulate the release of gonadotropins, follicle-stimulating hormone (FSH), and leuteinizing hormone (LH), which leads to the development and maturation of ovarian follicle, ovulation, and subsequent development and function of the coprus luteum, thus resulting in pregnancy. Gonadotropin release may result from direct stimulation of the hypothalamic-pituitary axis or from a decreased inhibitory influence of estrogens on the hypothalamic-pituitary axis by competing with the endogenous estrogens of the uterus, pituitary, or hypothalamus. Clomifene has no apparent progestational, androgenic, or antrandrogenic effects and does not appear to interfere with pituitary-adrenal or pituitary-thyroid function. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D005299 - Fertility Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Toremifene
C26H28ClNO (405.18593080000005)
Toremifene is only found in individuals that have used or taken this drug. It is a first generation nonsteroidal selective estrogen receptor modulator (SERM) that is structurally related to tamoxifen. Like tamoxifen, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. [PubChem]Toremifene is a nonsteroidal triphenylethylene derivative. Toremifene binds to estrogen receptors and may exert estrogenic, antiestrogenic, or both activities, depending upon the duration of treatment, animal species, gender, target organ, or endpoint selected. The antitumor effect of toremifene in breast cancer is believed to be mainly due to its antiestrogenic effects, in other words, its ability to compete with estrogen for binding sites in the cancer, blocking the growth-stimulating effects of estrogen in the tumor. Toremifene may also inhibit tumor growth through other mechanisms, such as induction of apoptosis, regulation of oncogene expression, and growth factors. 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 > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Nebivolol
Nebivolol is only found in individuals that have used or taken this drug. It is a highly cardioselective vasodilatory beta1 receptor blocker used in treatment of hypertension. In most countries, this medication is available only by prescription. [Wikipedia]Nebivolol is a selective β1-receptor antagonist. Activation of β1-receptors by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Nebivolol blocks these receptors which reverses the effects of epinephrine, lowering the heart rate and blood pressure. In addition, beta blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels. At high enough concentrations, this drug may also bind beta 2 receptors. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Imidapril
C20H27N3O6 (405.18997620000005)
Imidapril, also known as Tanatril (trade name), belongs to a class of long-acting, non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitors (PMID: 12177688). It is a prodrug that is widely used in the treatment of mild to moderate essential hypertension (PMID: 17547476). A prodrug is a drug that must be metabolized in the body (via the gut or the liver) to become active. Imidapril is also prescribed to treat chronic congestive heart failure (CHF), acute myocardial infarction (AMI), and diabetic nephropathy (PMID: 12177688, 17094051). It functions through preventing angiotensin II formation, via inhibition of the angiotensin-converting enzyme (ACE), that results in reduction of peripheral resistance and a reduction in systemic blood pressure (BP) (PMID: 17547476). Imidapril is only found in individuals that have used or taken this drug. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
2-[4-(4-Chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
C26H28ClNO (405.18593080000005)
Febarbamate
C20H27N3O6 (405.18997620000005)
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Nifekalant
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Nitro-prednisolone
C21H27NO7 (405.17874320000004)
Taltirelin
trequinsin
C24H27N3O3 (405.20523120000007)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
3-[2-(1,1-dimethyl-allyl)-5-(3,3-dimethyl-oxiranylmethyl)-indol-3-ylmethylene]-6-methylene-piperazine-2,5-dione|Isoechinulin C|isoechinulin-C
C24H27N3O3 (405.20523120000007)
nifekalant
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
Hydroxy-roquefortine C
C22H23N5O3 (405.18008080000004)
CONFIDENCE Penicillium bissettii
ancistrotanzanine A|ancistrotectorines D
C25H27NO4 (405.19399820000007)
(3E,5aS,10bR)-6,10b,11,11a-tetrahydro-11a-hydroxy-3-(1H-imidazol-5-ylmethylidene)-10b-(2-methylbut-3-en-2-yl)-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione|16-hydroxyroquefortine C
C22H23N5O3 (405.18008080000004)
(S,3Z)-3-((1,7-dihydro-7,7-dimethyl-2-(2-methylbut-3-en-2-yl)pyrano[2,3-g]indol-3-yl)methylene)-6-methylpiperazine-2,5-dione|talathermophilin B
C24H27N3O3 (405.20523120000007)
5-acetoxymethyl-5,7,8,13,13b,14-hexahydro-indolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-1-carboxylic acid methyl ester|Cadamin-D-Acetat
C23H23N3O4 (405.16884780000004)
Toremifene
C26H28ClNO (405.18593080000005)
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 > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Febarbamate
C20H27N3O6 (405.18997620000005)
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
Imidapril
C20H27N3O6 (405.18997620000005)
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Ala Ala Met Asn
Ala Ala Asn Met
Ala Cys Gly Arg
Ala Cys Arg Gly
Ala Gly Cys Arg
Ala Gly Lys Met
C16H31N5O5S (405.20457960000005)
Ala Gly Met Lys
C16H31N5O5S (405.20457960000005)
Ala Gly Arg Cys
Ala Lys Gly Met
C16H31N5O5S (405.20457960000005)
Ala Lys Met Gly
C16H31N5O5S (405.20457960000005)
Ala Lys Ser Thr
Ala Lys Thr Ser
Ala Met Gly Lys
C16H31N5O5S (405.20457960000005)
Ala Met Lys Gly
C16H31N5O5S (405.20457960000005)
Ala Asn Thr Thr
C15H27N5O8 (405.18595419999997)
Ala Gln Ser Thr
C15H27N5O8 (405.18595419999997)
Ala Gln Thr Ser
C15H27N5O8 (405.18595419999997)
Ala Arg Cys Gly
Ala Arg Gly Cys
Ala Ser Lys Thr
Ala Ser Gln Thr
C15H27N5O8 (405.18595419999997)
Ala Ser Thr Lys
Ala Ser Thr Gln
C15H27N5O8 (405.18595419999997)
Ala Thr Lys Ser
Ala Thr Asn Thr
C15H27N5O8 (405.18595419999997)
Ala Thr Gln Ser
C15H27N5O8 (405.18595419999997)
Ala Thr Ser Lys
Ala Thr Ser Gln
C15H27N5O8 (405.18595419999997)
Ala Thr Thr Asn
C15H27N5O8 (405.18595419999997)
Cys Ala Gly Arg
Cys Ala Arg Gly
Cys Gly Ala Arg
Cys Gly Lys Val
C16H31N5O5S (405.20457960000005)
Cys Gly Arg Ala
Cys Gly Val Lys
C16H31N5O5S (405.20457960000005)
Cys Lys Gly Val
C16H31N5O5S (405.20457960000005)
Cys Lys Val Gly
C16H31N5O5S (405.20457960000005)
Cys Arg Ala Gly
Cys Arg Gly Ala
Cys Val Gly Lys
C16H31N5O5S (405.20457960000005)
Cys Val Lys Gly
C16H31N5O5S (405.20457960000005)
Asp Gly Lys Ser
C15H27N5O8 (405.18595419999997)
Asp Gly Ser Lys
C15H27N5O8 (405.18595419999997)
Asp Lys Gly Ser
C15H27N5O8 (405.18595419999997)
Asp Lys Ser Gly
C15H27N5O8 (405.18595419999997)
Asp Ser Gly Lys
C15H27N5O8 (405.18595419999997)
Asp Ser Lys Gly
C15H27N5O8 (405.18595419999997)
Gly Ala Cys Arg
Gly Ala Lys Met
C16H31N5O5S (405.20457960000005)
Gly Ala Met Lys
C16H31N5O5S (405.20457960000005)
Gly Ala Arg Cys
Gly Cys Ala Arg
Gly Cys Lys Val
C16H31N5O5S (405.20457960000005)
Gly Cys Arg Ala
Gly Cys Val Lys
C16H31N5O5S (405.20457960000005)
Gly Asp Lys Ser
C15H27N5O8 (405.18595419999997)
Gly Asp Ser Lys
C15H27N5O8 (405.18595419999997)
Gly Lys Ala Met
C16H31N5O5S (405.20457960000005)
Gly Lys Cys Val
C16H31N5O5S (405.20457960000005)
Gly Lys Asp Ser
C15H27N5O8 (405.18595419999997)
Gly Lys Met Ala
C16H31N5O5S (405.20457960000005)
Gly Lys Ser Asp
C15H27N5O8 (405.18595419999997)
Gly Lys Thr Thr
Gly Lys Val Cys
C16H31N5O5S (405.20457960000005)
Gly Met Ala Lys
C16H31N5O5S (405.20457960000005)
Gly Met Lys Ala
C16H31N5O5S (405.20457960000005)
Gly Gln Thr Thr
C15H27N5O8 (405.18595419999997)
Gly Arg Ala Cys
Gly Arg Cys Ala
Gly Arg Ser Ser
Gly Ser Asp Lys
C15H27N5O8 (405.18595419999997)
Gly Ser Lys Asp
C15H27N5O8 (405.18595419999997)
Gly Ser Arg Ser
Gly Ser Ser Arg
Gly Thr Lys Thr
Gly Thr Gln Thr
C15H27N5O8 (405.18595419999997)
Gly Thr Thr Lys
Gly Thr Thr Gln
C15H27N5O8 (405.18595419999997)
Gly Val Cys Lys
C16H31N5O5S (405.20457960000005)
Gly Val Lys Cys
C16H31N5O5S (405.20457960000005)
Lys Ala Gly Met
C16H31N5O5S (405.20457960000005)
Lys Ala Met Gly
C16H31N5O5S (405.20457960000005)
Lys Ala Ser Thr
Lys Ala Thr Ser
Lys Cys Gly Val
C16H31N5O5S (405.20457960000005)
Lys Cys Val Gly
C16H31N5O5S (405.20457960000005)
Lys Asp Gly Ser
C15H27N5O8 (405.18595419999997)
Lys Asp Ser Gly
C15H27N5O8 (405.18595419999997)
Lys Gly Ala Met
C16H31N5O5S (405.20457960000005)
Lys Gly Cys Val
C16H31N5O5S (405.20457960000005)
Lys Gly Asp Ser
C15H27N5O8 (405.18595419999997)
Lys Gly Met Ala
C16H31N5O5S (405.20457960000005)
Lys Gly Ser Asp
C15H27N5O8 (405.18595419999997)
Lys Gly Thr Thr
Lys Gly Val Cys
C16H31N5O5S (405.20457960000005)
Lys Met Ala Gly
C16H31N5O5S (405.20457960000005)
Lys Met Gly Ala
C16H31N5O5S (405.20457960000005)
Lys Ser Ala Thr
Lys Ser Asp Gly
C15H27N5O8 (405.18595419999997)
Lys Ser Gly Asp
C15H27N5O8 (405.18595419999997)
Lys Ser Thr Ala
Lys Thr Ala Ser
Lys Thr Gly Thr
Lys Thr Ser Ala
Lys Thr Thr Gly
Lys Val Cys Gly
C16H31N5O5S (405.20457960000005)
Lys Val Gly Cys
C16H31N5O5S (405.20457960000005)
Met Ala Gly Lys
C16H31N5O5S (405.20457960000005)
Met Ala Lys Gly
C16H31N5O5S (405.20457960000005)
Met Gly Ala Lys
C16H31N5O5S (405.20457960000005)
Met Gly Lys Ala
C16H31N5O5S (405.20457960000005)
Met Lys Ala Gly
C16H31N5O5S (405.20457960000005)
Met Lys Gly Ala
C16H31N5O5S (405.20457960000005)
Asn Ala Thr Thr
C15H27N5O8 (405.18595419999997)
Asn Ser Ser Val
C15H27N5O8 (405.18595419999997)
Asn Ser Val Ser
C15H27N5O8 (405.18595419999997)
Asn Thr Ala Thr
C15H27N5O8 (405.18595419999997)
Asn Thr Thr Ala
C15H27N5O8 (405.18595419999997)
Asn Val Ser Ser
C15H27N5O8 (405.18595419999997)
Gln Ala Ser Thr
C15H27N5O8 (405.18595419999997)
Gln Ala Thr Ser
C15H27N5O8 (405.18595419999997)
Gln Gly Thr Thr
C15H27N5O8 (405.18595419999997)
Gln Ser Ala Thr
C15H27N5O8 (405.18595419999997)
Gln Ser Thr Ala
C15H27N5O8 (405.18595419999997)
Gln Thr Ala Ser
C15H27N5O8 (405.18595419999997)
Gln Thr Gly Thr
C15H27N5O8 (405.18595419999997)
Gln Thr Ser Ala
C15H27N5O8 (405.18595419999997)
Gln Thr Thr Gly
C15H27N5O8 (405.18595419999997)
Arg Ala Cys Gly
Arg Ala Gly Cys
Arg Cys Ala Gly
Arg Cys Gly Ala
Arg Gly Ala Cys
Arg Gly Cys Ala
Arg Gly Ser Ser
Arg Ser Gly Ser
Arg Ser Ser Gly
Ser Ala Lys Thr
Ser Ala Gln Thr
C15H27N5O8 (405.18595419999997)
Ser Ala Thr Lys
Ser Ala Thr Gln
C15H27N5O8 (405.18595419999997)
Ser Asp Gly Lys
C15H27N5O8 (405.18595419999997)
Ser Asp Lys Gly
C15H27N5O8 (405.18595419999997)
Ser Gly Asp Lys
C15H27N5O8 (405.18595419999997)
Ser Gly Lys Asp
C15H27N5O8 (405.18595419999997)
Ser Gly Arg Ser
Ser Gly Ser Arg
Ser Lys Ala Thr
Ser Lys Asp Gly
C15H27N5O8 (405.18595419999997)
Ser Lys Gly Asp
C15H27N5O8 (405.18595419999997)
Ser Lys Thr Ala
Ser Asn Ser Val
C15H27N5O8 (405.18595419999997)
Ser Asn Val Ser
C15H27N5O8 (405.18595419999997)
Ser Gln Ala Thr
C15H27N5O8 (405.18595419999997)
Ser Gln Thr Ala
C15H27N5O8 (405.18595419999997)
Ser Arg Gly Ser
Ser Arg Ser Gly
Ser Ser Gly Arg
Ser Ser Asn Val
C15H27N5O8 (405.18595419999997)
Ser Ser Arg Gly
Ser Ser Val Asn
C15H27N5O8 (405.18595419999997)
Ser Thr Ala Lys
Ser Thr Ala Gln
C15H27N5O8 (405.18595419999997)
Ser Thr Lys Ala
Ser Thr Gln Ala
C15H27N5O8 (405.18595419999997)
Ser Val Asn Ser
C15H27N5O8 (405.18595419999997)
Ser Val Ser Asn
C15H27N5O8 (405.18595419999997)
Thr Ala Lys Ser
Thr Ala Asn Thr
C15H27N5O8 (405.18595419999997)
Thr Ala Gln Ser
C15H27N5O8 (405.18595419999997)
Thr Ala Ser Lys
Thr Ala Ser Gln
C15H27N5O8 (405.18595419999997)
Thr Ala Thr Asn
C15H27N5O8 (405.18595419999997)
Thr Gly Lys Thr
Thr Gly Gln Thr
C15H27N5O8 (405.18595419999997)
Thr Gly Thr Lys
Thr Gly Thr Gln
C15H27N5O8 (405.18595419999997)
Thr Lys Ala Ser
Thr Lys Gly Thr
Thr Lys Ser Ala
Thr Lys Thr Gly
Thr Asn Ala Thr
C15H27N5O8 (405.18595419999997)
Thr Asn Thr Ala
C15H27N5O8 (405.18595419999997)
Thr Gln Ala Ser
C15H27N5O8 (405.18595419999997)
Thr Gln Gly Thr
C15H27N5O8 (405.18595419999997)
Thr Gln Ser Ala
C15H27N5O8 (405.18595419999997)
Thr Gln Thr Gly
C15H27N5O8 (405.18595419999997)
Thr Ser Ala Lys
Thr Ser Ala Gln
C15H27N5O8 (405.18595419999997)
Thr Ser Lys Ala
Thr Ser Gln Ala
C15H27N5O8 (405.18595419999997)
Thr Thr Ala Asn
C15H27N5O8 (405.18595419999997)
Thr Thr Gly Lys
Thr Thr Gly Gln
C15H27N5O8 (405.18595419999997)
Thr Thr Lys Gly
Thr Thr Asn Ala
C15H27N5O8 (405.18595419999997)
Thr Thr Gln Gly
C15H27N5O8 (405.18595419999997)
Val Cys Gly Lys
C16H31N5O5S (405.20457960000005)
Val Cys Lys Gly
C16H31N5O5S (405.20457960000005)
Val Gly Cys Lys
C16H31N5O5S (405.20457960000005)
Val Gly Lys Cys
C16H31N5O5S (405.20457960000005)
Val Lys Cys Gly
C16H31N5O5S (405.20457960000005)
Val Lys Gly Cys
C16H31N5O5S (405.20457960000005)
Val Asn Ser Ser
C15H27N5O8 (405.18595419999997)
Val Ser Asn Ser
C15H27N5O8 (405.18595419999997)
Val Ser Ser Asn
C15H27N5O8 (405.18595419999997)
Nebivolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Epolactaene
C21H27NO7 (405.17874320000004)
Tetranor PGE1 Taurine
C18H31NO7S (405.18211360000004)
icas#12
C21H27NO7 (405.17874320000004)
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (5R)-5-hydroxyhexanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
potassium: 1,2-diethenylbenzene: 1-ethenyl-2-ethyl-benzene: styrene
1H-Indole-1-carboxylic acid, 2-borono-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, 1-(1,1-dimethylethyl) ester (9CI)
1H-Indole-1-carboxylic acid, 2-borono-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, 1,1-dimethylethyl ester
4-(N-Ethyl-N-benzyl)amino benzoaldehyde-1,1-diphenylhydrazone
SGI-1776 free base
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Adoprazine
Adoprazine (SLV313) is a full 5-HT1A receptor agonist with a pEC50 of 9 at cloned h5-HT1A receptors. Adoprazine (SLV313) is a full D2 and D3 receptor antagonist with pA2s of 9.3 and 8.9 at hD2 and hD3 receptors, respectively. Adoprazine (SLV313) has the characteristics of atypical antipsychotics[1].
2-Chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5 -methyl-1H-pyrazol-3-yl]benzamide
C21H28ClN3O3 (405.1819088000001)
Terbogrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor
TERT-BUTYL (2S,3S)-1-(4-(BENZYLOXY)PHENYL)-4-CHLORO-3-HYDROXYBUTAN-2-YLCARBAMATE
C22H28ClNO4 (405.1706758000001)
DIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE
C25H27NO4 (405.19399820000007)
Taltirelin
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C76367 - Thyrotropin-Releasing Hormone Analogue D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D002491 - Central Nervous System Agents > D018697 - Nootropic Agents
3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-benzoic acid methyl ester hydrochloride (1:1)
C23H31NO3.HCl (405.20705920000006)
N-Fmoc-2-amino-2-(3-butenyl)hex-5-enoic acid
C25H27NO4 (405.19399820000007)
1-isopropyl-1-(2-methyl-1H-benzo[d]imidazole-6-carbonyl)-4,6-dihydrospiro[indazole-5,4-piperidin]-7(1H)-one
PF-05175157 is broad spectrum acetyl-CoA carboxylase (ACC) inhibitor with IC50s of 27.0, 33.0, 23.5 and 50.4 nM for ACC1 (human), ACC2 (human), ACC1 (rat), ACC2 (rat), respectively.
(5R)-5-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]hexanoic acid
C21H27NO7 (405.17874320000004)
Clomifene
C26H28ClNO (405.18593080000005)
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D005299 - Fertility Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor
7-hydroxy-8-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-5-olate
(2S,3S,6R)-3-[[2-(2-amino-3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-yl)acetyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylate
2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine
C26H28ClNO (405.18593080000005)
(Z)-6-[3-[(N-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
C21H27NO7 (405.17874320000004)
Ancistrotanzanine A
C25H27NO4 (405.19399820000007)
An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.
(2S)-Hydroxy-(11S,12R)-dihydrostemofoline, (rel)-
A natural product found in Stemona aphylla.
Oxystemokerrine
A natural product found particularly in Stemona and Stemona curtisii.
Talathermophilins B
C24H27N3O3 (405.20523120000007)
A natural product found in Talaromyces thermophilus and Talaromyces thermophilus.
2-[(2-hydroxy-1-naphthalenyl)methyl-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide
C24H27N3O3 (405.20523120000007)
3-[[5,6-Bis(4-methoxyphenyl)-4-furo[2,3-d]pyrimidinyl]amino]-1-propanol
C23H23N3O4 (405.16884780000004)
4-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-methoxyphenol
N-[2,5-diethoxy-4-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
C20H27N3O4S (405.1722182000001)
N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide
C25H27NO4 (405.19399820000007)
2-(4-Chlorophenyl)-3-(4-fluorophenyl)-1-(4-morpholinyl)-3-heptanol
1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
(2S,3S,6R)-3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
1-[(2S,3R,6S)-6-[2-[4-(3-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
1-[(2S,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
(2S)-2-[(4R,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C20H27N3O4S (405.1722182000001)
(2S)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C20H27N3O4S (405.1722182000001)
1-[(2S,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
N-[2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2S,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
1-(2-fluorophenyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
C20H27N3O6 (405.18997620000005)
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
C20H27N3O6 (405.18997620000005)
1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6R,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(2R)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C20H27N3O4S (405.1722182000001)
(2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C20H27N3O4S (405.1722182000001)
(2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C20H27N3O4S (405.1722182000001)
1-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
C20H28FN5O3 (405.21760700000004)
N-[2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2R,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
N-[2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
C20H27N3O6 (405.18997620000005)
1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-(2-fluorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propyl-1-triazolyl)ethyl]-3-oxanyl]urea
C20H28FN5O3 (405.21760700000004)
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
C20H27N3O6 (405.18997620000005)
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
C20H27N3O6 (405.18997620000005)
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea
C20H27N3O6 (405.18997620000005)
1-[(2S,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3S,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2S,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
1-[(2S,3S,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
C20H28FN5O3 (405.21760700000004)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
C21H27NO7 (405.17874320000004)
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-phenylethanone
C24H27N3O3 (405.20523120000007)
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-phenylethanone
C24H27N3O3 (405.20523120000007)
[(1R)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-phenylmethanone
C24H27N3O3 (405.20523120000007)
[(1S)-1-(hydroxymethyl)-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]-phenylmethanone
C24H27N3O3 (405.20523120000007)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyprop-1-ynyl)phenyl]-4-[oxo(pyridin-4-yl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C23H23N3O4 (405.16884780000004)
2-(3-Trimethylsilyloxybutoxy)-4-quinolinecarboxylic acid trimethylsilyl ester
C20H31NO4Si2 (405.17915260000007)
trequinsin
C24H27N3O3 (405.20523120000007)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(3h-imidazol-4-yl)propylidene]amino}-1-hydroxy-3-(3h-imidazol-4-yl)propylidene]amino}-4-methylpentanoic acid
(1s,2r,3s,10s,11r)-11-[(1s)-1-hydroxypropyl]-4-[(2z)-3-methoxy-4-methyl-5-oxofuran-2-ylidene]-3-methyl-5-oxa-10-azatricyclo[8.4.0.0²,⁶]tetradec-6-en-10-ium-10-olate
(1s,2r,3r,6s,7s,8s,10s)-2-ethyl-8-hydroxy-6-methyl-10-[(2s,4r)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
14-ethyl-9-methoxy-4,6,17-trioxa-14-azaoctacyclo[10.8.2.1²,⁸.0¹,¹³.0³,⁷.0³,¹¹.0¹⁶,¹⁸.0¹⁶,²¹]tricosane-11,20-diol
(1s,2s,3s,6s,7r,8s,10r,15r)-2-ethyl-15-hydroxy-6-methyl-10-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
5-[(1r,6s,9r,10r,11r,12s,13e)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
5-[(1r,6s,9r,10r,11r,12s)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
2-[(3r)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
C25H27NO4 (405.19399820000007)
3-hydroxy-n-(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-carboximidic acid
(2r,3s)-3-hydroxy-n-[(2s,3r)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-carboximidic acid
2-(6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-3-methylnaphthalen-1-ol
C25H27NO4 (405.19399820000007)
(3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
C25H27NO4 (405.19399820000007)
(1r,2r,3s,6s,7s,10s)-2-ethyl-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
(1s,2s,3s,6s,7s,8r,10s)-2-ethyl-8-hydroxy-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
5-[6-(1-hydroxypropyl)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
akirine
{"Ingredient_id": "HBIN015020","Ingredient_name": "akirine","Alias": "NA","Ingredient_formula": "C22H31NO6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7069","PubChem_id": "NA","DrugBank_id": "NA"}
ancistrobarterine a
C25H27NO4 (405.19399820000007)
{"Ingredient_id": "HBIN015982","Ingredient_name": "ancistrobarterine a","Alias": "NA","Ingredient_formula": "C25H27NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O","Ingredient_weight": "405.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21539","PubChem_id": "135457480","DrugBank_id": "NA"}
ancistrocladidine
C25H27NO4 (405.19399820000007)
{"Ingredient_id": "HBIN015989","Ingredient_name": "ancistrocladidine","Alias": "NA","Ingredient_formula": "C25H27NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC","Ingredient_weight": "405.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1141","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "193880","DrugBank_id": "NA"}
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
C25H27NO4 (405.19399820000007)
(3z)-3-[(5-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl)methylidene]-6-methylidenepyrazine-2,5-diol
C24H27N3O3 (405.20523120000007)
(2s,3s)-3-hydroxy-n-[(2s,3r)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-carboximidic acid
4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate
C21H27NO7 (405.17874320000004)
(2e,4e,6e,8e,10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one
C25H27NO4 (405.19399820000007)
(1s,2s,3s,6r,7s,14s)-7-ethyl-3-methyl-14-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-13-azatricyclo[11.2.1.0²,⁶]hexadecane-4,8,16-trione
(4s,11z,14s)-4-hydroxy-5,7-dimethyl-14-[(1e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione
C22H31NO4S (405.19736860000006)
(1s,4z,7s,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
2-ethyl-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
(1s,2r,3r,4s,8r,13s,16r,19s,20s)-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docos-14-ene-4,15-diol
(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-6-[(1s,2s,4s,5r,6s,8s)-5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C21H27NO7 (405.17874320000004)
(2e,4e,6e,8e,10s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one
C25H27NO4 (405.19399820000007)
(1r,2r,3r,6r,7r,8s,10s)-2-ethyl-8-hydroxy-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
4-hydroxy-5,7-dimethyl-14-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione
C22H31NO4S (405.19736860000006)
4-{[1-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-en-1-ylidene]amino}butanoic acid
C21H27NO7 (405.17874320000004)
2-ethyl-15-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
(4s,5r,7s,11z,14s)-4-hydroxy-5,7-dimethyl-14-[(1e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione
C22H31NO4S (405.19736860000006)
2-[(3s)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
C25H27NO4 (405.19399820000007)
3-{[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1h-chromeno[5,6-b]pyrrol-3-yl]methylidene}-5-hydroxy-6-methyl-1,6-dihydropyrazin-2-one
C24H27N3O3 (405.20523120000007)
(1s,4e,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
5-[(1r,6s,9s,10r,11r,12s,13z)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid
C21H27NO7 (405.17874320000004)
(1r,2s,3s,7r,8r,9s,11s,12s,13r,16s,18s,20s,21s)-14-ethyl-9-methoxy-4,6,17-trioxa-14-azaoctacyclo[10.8.2.1²,⁸.0¹,¹³.0³,⁷.0³,¹¹.0¹⁶,¹⁸.0¹⁶,²¹]tricosane-11,20-diol
(1s,2s,3r,6s,7r,10r)-2-ethyl-6-methyl-10-[(2r,4r)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
3-{hydroxy[6-(hydroxymethyl)-2-(3-hydroxyprop-1-en-1-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
3-{[(1s,2s,4as,6r,8ar)-6-(hydroxymethyl)-2-[(1e)-3-hydroxyprop-1-en-1-yl]-1-methyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl](hydroxy)methylidene}-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-2-(2-hydroxyethyl)-7-methoxy-7-methylisoquinoline-6,8-dione
C22H28ClNO4 (405.1706758000001)
(1s,6s,7z,9r,10z,19r)-11-chloro-9-hydroxy-6-methyl-14-oxa-23-azatetracyclo[14.6.2.0¹,⁵.0¹⁹,²³]tetracosa-7,10,16-trien-15-one
(1s,7s,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
(2e,4e,6e,8e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one
C25H27NO4 (405.19399820000007)
n-(2-{4-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]phenyl}ethyl)-3-methanesulfonylprop-2-enimidic acid
C22H31NO4S (405.19736860000006)
(6s)-3-{[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1h-chromeno[5,6-b]pyrrol-3-yl]methylidene}-5-hydroxy-6-methyl-1,6-dihydropyrazin-2-one
C24H27N3O3 (405.20523120000007)
(1r,2s,3s,6r,10s)-2-ethyl-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
(1s,2r,3s,6s,7r,10s)-2-ethyl-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatricyclo[9.4.1.0³,⁷]hexadecane-5,8,16-trione
7-ethyl-3-methyl-14-(4-methyl-5-oxooxolan-2-yl)-5-oxa-13-azatricyclo[11.2.1.0²,⁶]hexadecane-4,8,16-trione
(1s,7r,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
(1s,4z,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
5-[(1r,6s,9r,10r,11r,12s,13e)-6-[(1r)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
(10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one
C25H27NO4 (405.19399820000007)
(1r,5s,6r,7e,9s,10z,19s)-11-chloro-9-hydroxy-6-methyl-14-oxa-23-azatetracyclo[14.6.2.0¹,⁵.0¹⁹,²³]tetracosa-7,10,16-trien-15-one
(3s)-3-[(6-hydroxy-1h-indol-3-yl)methyl]-6-(3-methylbut-2-en-1-yl)-3h-1,4-benzodiazepine-2,5,9-triol
C23H23N3O4 (405.16884780000004)
5-hydroxy-4-(1-hydroxy-6-{5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl}-4-methylhepta-2,4-dien-1-ylidene)-2h-pyrrol-3-one
C21H27NO7 (405.17874320000004)
(3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
C25H27NO4 (405.19399820000007)
5-[(1s,6r,9r,10r,11r,12s,13z)-6-[(1r)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C22H23N5O3 (405.18008080000004)
(5r)-5-[(1s,3s,4s,5r,6s,8s,9s,13r)-9-[(2s)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-yl]-4-methoxy-3-methyl-5h-furan-2-one
13-ethyl-23-methoxy-7,9,16-trioxa-13-azaoctacyclo[9.8.2.2⁴,¹⁰.0¹,¹².0²,⁶.0⁶,¹⁰.0¹⁵,¹⁷.0¹⁵,²⁰]tricosane-5,19-diol
5-[(1s,6r,9r,10r,11r,12s,13z)-6-[(1r)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-3-methoxy-4-methylfuran-2-one
(5s)-5-[(1s,3s,4s,5r,6s,8s,9s,13r)-9-[(2s)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-yl]-4-methoxy-3-methyl-5h-furan-2-one
2-ethyl-8-hydroxy-6-methyl-10-(4-methyl-5-oxooxolan-2-yl)-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one
C25H27NO4 (405.19399820000007)
(7r)-5-chloro-3-[(5s)-3,5-dimethylhepta-1,3-dien-1-yl]-2-(2-hydroxyethyl)-7-methoxy-7-methylisoquinoline-6,8-dione
C22H28ClNO4 (405.1706758000001)
(1r,2r,3s,6r,7s,8s,10s)-2-ethyl-8-hydroxy-6-methyl-10-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-4-oxa-11-azatetracyclo[9.4.1.0¹,⁸.0³,⁷]hexadecane-5,16-dione
5-[(1r,6r,9r,10r,11r,12s,13e)-6-[(1r)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one
(1r,4z,6r,7s)-4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate
C21H27NO7 (405.17874320000004)
(2s,3s)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid
C21H27NO7 (405.17874320000004)
3-[(6-hydroxy-1h-indol-3-yl)methyl]-6-(3-methylbut-2-en-1-yl)-3h-1,4-benzodiazepine-2,5,9-triol
C23H23N3O4 (405.16884780000004)
(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
C22H31NO4S (405.19736860000006)
11-chloro-9-hydroxy-6-methyl-14-oxa-23-azatetracyclo[14.6.2.0¹,⁵.0¹⁹,²³]tetracosa-7,10,16-trien-15-one
(1s,4z,6r,7r,17r)-7-(acetyloxy)-4-ethenyl-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadeca-4,11-dien-14-ium-17-olate
C21H27NO7 (405.17874320000004)