Exact Mass: 302.1782892
Exact Mass Matches: 302.1782892
Found 500 metabolites which its exact mass value is equals to given mass value 302.1782892,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2-Methoxyestradiol
2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. The CAS name for 2ME2 is (17 beta)-2-methoxyestra-1,3,5(10)-triene-3,17-diol. It also acts as a vasodilator. [HMDB] 2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumours need in order to grow (angiogenesis). It is derived from estrogen, although it binds poorly to known estrogen receptors, and belongs to the family of drugs called angiogenesis inhibitors. It has undergone phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. 2ME2 also acts as a vasodilator. 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 D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa[1][2][3][4][5][6].
Bioallethrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
11beta-OHA4
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2829 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Testololactone
16a-Hydroxyandrost-4-ene-3,17-dione
16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. [HMDB] 16alpha-Hydroxyandrost-4-ene-3,17-dione is involved in androgen and estrogen metabolism. 16alpha-Hydroxyandrost-4-ene-3,17-dione is produced from dehydroepiandrosterone through the work of 2 enzymes, [E1.14.99.-] and 3beta-hydroxy-delta5-steroid dehydrogenase [EC:1.1.1.145]. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Hydroxyandrost-4-ene-3,17-dione
19-hydroxyandrost-4-ene-3,17-dione, also known as 19-haed, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 19-hydroxyandrost-4-ene-3,17-dione is considered to be a steroid lipid molecule. 19-hydroxyandrost-4-ene-3,17-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-hydroxyandrost-4-ene-3,17-dione can be found in a number of food items such as red huckleberry, chinese chestnut, mustard spinach, and komatsuna, which makes 19-hydroxyandrost-4-ene-3,17-dione a potential biomarker for the consumption of these food products. 19-hydroxyandrost-4-ene-3,17-dione can be found primarily in blood, as well as in human placenta and testes tissues. In humans, 19-hydroxyandrost-4-ene-3,17-dione is involved in a couple of metabolic pathways, which include androgen and estrogen metabolism and androstenedione metabolism. 19-hydroxyandrost-4-ene-3,17-dione is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. Moreover, 19-hydroxyandrost-4-ene-3,17-dione is found to be associated with cushings Syndrome. 19-Hydroxyandrost-4-ene-3,17-dione is a substrate for Corticotropin-lipotropin and Cytochrome P450 19A1. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Oxotestosterone
19-oxotestosterone, also known as 19-aldehyde-testosterone, belongs to androgens and derivatives class of compounds. Those are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. 19-oxotestosterone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 19-oxotestosterone can be found in a number of food items such as tree fern, italian sweet red pepper, anise, and atlantic herring, which makes 19-oxotestosterone a potential biomarker for the consumption of these food products. 19-oxotestosterone can be found primarily throughout most human tissues. In humans, 19-oxotestosterone is involved in the androgen and estrogen metabolism. 19-oxotestosterone is also involved in a couple of metabolic disorders, which include 17-beta hydroxysteroid dehydrogenase III deficiency and aromatase deficiency. 19-Oxotestosterone is catalyzed by Aromatase (EC 1.14.14.1),also called estrogen synthetase (a cytochrome P450 enzyme which catalyzes the formation of aromatic C18 estrogens from C19 androgens; it is symbolized CYP19) into oestrogens via sequential oxidations at the 19-methyl group. Biosynthesis of estrogens from C19 steroids is catalyzed by aromatase and its tissue-specific expression is determined at least in part by alternative use of tissue-specific promoters, which give rise to transcripts with unique 5-prime noncoding termini.(OMIM 107910).
7a-Hydroxyandrost-4-ene-3,17-dione
7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. [HMDB] 7alpha-Hydroxyandrost-4-ene-3,17-dione is an intermediate in androgen and estrogen metabolism. More specifically, it is an intermediate during the conversion of androst-4-ene-3,17-dione to testosterone or vice versa. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glycerol tributanoate
Flavouring agent. Glycerol tributanoate is found in many foods, some of which are durian, canola, conch, and italian sweet red pepper. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Glycerol tributanoate is a flavouring agent
3-Methoxy-17-epiestriol
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 > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Same as: D04021
ST 19:3;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2815
11b-Hydroxyandrost-4-ene-3,17-dione
11beta-Hydroxyandrost-4-ene-3,17-dione is an intermediate in adrenosterone production. 11beta-Hydroxyandrost-4-ene-3,17-dione is produced from androst-4-ene-3,17-dione, a reaction catalyzed by the enzyme cytochrome P450 B [EC:1.14.15.4]. 11beta-Hydroxyandrost-4-ene-3,17-dione is then converted into adrenosterone by the enzyme 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
Ginsenoyne H
Ginsenoyne H is found in tea. Ginsenoyne H is isolated from ginseng. Isolated from ginseng. Ginsenoyne H is found in tea.
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables. (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate is found in root vegetables.
Yucalexin B'11
Yucalexin B11 is found in root vegetables. Yucalexin B11 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B11 is found in root vegetables.
Falcarindiol 3-acetate
Falcarindiol 3-acetate is found in root vegetables. Falcarindiol 3-acetate is a constituent of carrots Daucus carota. Constituent of carrots Daucus carota. Falcarindiol 3-acetate is found in root vegetables.
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan is found in herbs and spices.
[8]-Dehydroshogaol
[8]-Dehydroshogaol is found in herbs and spices. [8]-Dehydroshogaol is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [8]-Dehydroshogaol is found in herbs and spices.
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables. 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables.
Acetylpanaxydol
Acetylpanaxydol is found in tea. Acetylpanaxydol is a constituent of Panax quinquefolium (American ginseng). Constituent of Panax quinquefolium (American ginseng). Acetylpanaxydol is found in tea.
Arginylglutamine
Arginylglutamine is a dipeptide composed of arginine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminylarginine
Glutaminylarginine is a dipeptide composed of glutamine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-Hydroxyestradiol-3-methyl ether
2-Hydroxyestradiol-3-methylether is a methoxylated derivative of 2-hydroxyestradiol. 2-hydroxy estrogen metabolites can be converted to anticarcinogenic methoxylated metabolites (2-methoxyestrone and 2-methoxyestradiol, 2-hydroxyestrone and 2-hydroxyestradiol 3-methyl ether) by catechol O-methyltransferase (PMID: 11172156). 2-hydroxyestradiol 3-methyl ether has been found in the urine of pregnant women (along with other 2-hydroxyestrogen ethers) although the amounts are generally small (less than 5 ug/24 hours). (PMID: 966757).
4-Methoxy-17beta-estradiol
4-Methoxy-17beta-estradiol, also known as 4-methoxyestradiol or 4-ME2, is a member of the class of compounds known as estrogens and derivatives. These compounds are steroids with a structure containing a 3-hydroxylated estrane. 4-Methoxy-17beta-estradiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-Methoxy-17beta-estradiol can be synthesized from 17beta-estradiol. 4-Methoxy-17beta-estradiol can also be synthesized into 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide). 2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Arginyl-Gamma-glutamate
Arginyl-Gamma-glutamate is a dipeptide composed of arginine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(8R,9R,10S,11S,13R,14R)-11-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
11-Ketotestosterone
2-Methoxy-17alpha-estradiol
(8R,9S,10R,13S,14S)-4-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
4-Methoxy-17alpha-estradiol
7-Keto-dehydroepiandrosterone
DL-Valine-4-antipyrineamide
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
EPIMESTROL
(8R,9S,13S,14S,17S)-13-Methyl-3-methylperoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
(8S,9R,10R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
trichostatin A
C17H22N2O3 (302.16303419999997)
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
[4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid
2-(3,3-Dimethylallyl)-4-(1-angeloyloxyethyl)-anisole
4-Androsten-4-ol-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(5R,10S)-12-Hydroxy-11-methoxy-13-methylpodocarpa-1,11,13-trien-3-one|Drypetenone C
1-Ac-(all-E)-2,9-Heptadecadiene-4,6-diyne-1,8-diol
3-isobutyrylamino-1-phenethyl-piperidine-2,6-dione
C17H22N2O3 (302.16303419999997)
17alpha-hydroxymethylestra-1,3,5(10)-triene-3,17-diol
Methyl 8-oxo-octadec-17-en-9,11-diynoat|Methyl-8-oxooctadeca-9,11-diyn-17-enoat
caribenol A
A terpene lactone that is 3,4,5,5a,6,7,7a,10,10a,10b-decahydro-2H-1-oxabenzo[cd]cyclopenta[h]azulen-2-one substituted by a hydroxy group at position 10b and methyl groups at positions 3, 6, 9 and 10a. It is isolated from the West Indian gorgonian octocoral Pseudopterogorgia elisabethae and exhibits antitubercular and antimalarial activity.
2alpha,17-dihydroxy-19-norisopimara-4(18),8(14),15-triene-7-one
3,5-Bis(3-methyl-2-butenyl)-4-methoxybenzoic acid methyl ester
2-Methylpropenoyl-(3beta, 10betaH)-Furanoeremophilan-3-ol
m-geranyl-p-methoxybenzoic acid methyl ester|methyl 3-(3,7-dimethyl-2,6-octadienyl)-4-methoxybenzoate
3-Me ether-(15beta,17beta)-Estra-1,3,5(10)-triene-3,15,17-triol
(4R,6R)-6[2(2,6(R)-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-4-hydroxytetrahydropyran-2-one|monacophenyl
7alpha,20-epoxy-3alpha-hydroxy-12-methoxy-13-methyl-ent-podocarp-8,11,13-triene
2,5-dihydroxy-3-(3-methyl-2-butenyl)-6-heptenyl-benzaldehyde
3alpha,20-epoxy-3beta-hydroxy-12-methoxy-13-methyl-ent-podocarp-8,11,13-triene
3alpha-hydroxy-13-hydroxymethyl-12-methoxy-ent-podocarp-6,8,11,13-tetraene
geranil-3(10)-en-9-carboxyl-beta-arabinopyranoside|geranilenyl carboxy arabinoside
(3S,6R,6aS,7S,12aS,12bR)-1,3,4,6,6a,7,8,12,12a,12b-decahydro-3,6-dihydroxy-10,12b-dimethyl-7,11-methanocycloocta[a]naphthalen-9(2H)-one|neoveratrenone
(1aR,2E,4aR,6S,7S,7aR,9Z,11aS)-5,6,7,7a,11,11a-hexahydro-7-hydroxy-1,1,6,9-tetramethyl-1H-cyclopenta[a]cyclopropa[f] [11]annulene-4,8(1aH,4aH)-dione
1,1-Dimethyl-5,6-dihydroxy-7-isopropyl-1,2,3,4,4a,10a-hexahydrophenanthrene-9(10H)-one
3beta,12-dihydroxy-13-acetyl-8,11,13-podocarpatriene
(6Z,9Z,12Z,15Z)-(R)-4-methoxyoctadeca-2,6,9,12,15-pentaen-4-olide|homaxinolide B
cis,cis-4,5-didehydro-siphonochalynol|Dehydrosiphonochalynol|docosa-4c,19c-diene-2,9,11,13,21-pentayn-1-ol
3-hydroxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
pyxidatol A|rel-(1R,2R,2aS,3S,4R,4aS,7aR,7bR)-decahydro-3-(hydroxymethyl)-6,6,7b-trimethyl-2aH-cyclobut[e]indene-1,2,2a,3,4-pentol
3-Methyl-2-pentenoyl-(3alpha, 10alphaH)-Furanoeremophilan-3-ol
(+)-(5S,10R)-10,12-dihydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Isotetrahydroauroglaucin
A member of the class of benzaldehydes that is benzaldehyde substituted by hydroxy groups at positions 3 and 6, a prenyl group at position 5 and a a hept-5-en-1-yl at position 2. Isolated from Chaetomium globosum and other fungal species, it exhibits radical scavenging activities.
1-[(4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethylphenanthren-7-yl]ethanone|13-acetyl-14,15-dihydroxypodocarpa-8,11,13-triene
4-Dimethylamino-tritylamin|4-dimethylamino-tritylamine|alpha-Amino-4-dimethylamino-triphenylmethan
4-Hydroxy-5-isopropyl-2-(1,3,3-trimethyl-2-oxocyclohexyl)benzaldehyde
4-Epimer,4-hydroperoxide-4-Hydroxy-18-nor-8,11,13-abietatrien-7-one|4-hydroperoxy-19-norabieta-8,11,13-trien-7-one
1-acetyl-2,3-dihydrooenanthotoxin|trans.trans-1-Acetoxy-heptadecadien-(8.10)-diin-(4.6)-ol-(14)
2-Methoxyestradiol
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 D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent 2-Methoxyestradiol (2-ME2), an orally active endogenous metabolite of 17β-estradiol (E2), is an apoptosis inducer and an angiogenesis inhibitor with potent antineoplastic activity. 2-Methoxyestradiol also destablize microtubules. 2-Methoxyestradio, also a potent superoxide dismutase (SOD) inhibitor and a ROS-generating agent, induces autophagy in the transformed cell line HEK293 and the cancer cell lines U87 and HeLa[1][2][3][4][5][6].
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
2-(E-3-heptneyl)-3, 6-dihydroxy-5-(3-methyl-2-butenyl) benzaldehyde
Esbiothrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 2459
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based on: CCMSLIB00000848599]
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione [IIN-based: Match]
butyrin
A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer
Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-
C17H22N2O3 (302.16303419999997)
Trichostatin A
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Trichostatin A (TSA) is a potent and specific inhibitor of HDAC class I/II, with an IC50 value of 1.8 nM for HDAC[1].
S-Bioallethrin
D010575 - Pesticides > D007306 - Insecticides > D000487 - Allethrins D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
D-trans-Allethrin
(+)-trans-(R)-allethrin
(-)-trans-allethrin
(-)-trans-(R)-allethrin
(-)-trans-(S)-allethrin
(+)-cis-allethrin
(+)-cis-(S)-allethrin
(-)-cis-allethrin
(-)-cis-(S)-allethrin
(-)-cis-(R)-allethrin
Formestane
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
α-hydroxy Farnesyl Phosphonic Acid
Arg-GLN
A dipeptide formed from L-arginyl and L-glutamine residues.
Benzyl 3-(((benzyloxy)carbonyl)amino)acrylate
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
Yucalexin B'11
ascr#3
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,8R)-8-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#2, ascr#4, and ascr#8 in male attraction.
oscr#3
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-9-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
R-allethrin
(+)-cis-(R)-allethrin
(5R,8R,9S,10R)-18-nor-cleroda-2,13-dien-16,15-olide-4-one
tert-butyl 4-(1H-indazol-5-yl)piperazine-1-carboxylate
1-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4-piperidine]
C17H22N2O3 (302.16303419999997)
(3-Cyano-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
2-({2,2-Bis[(oxiran-2-ylmethoxy)methyl]butoxy}methyl)oxirane
TERT-BUTYL 2-((4R,6S)-6-(ACETOXYMETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETATE
1,4-benzenediboronic acid bis(neopentyl glycol) ester
3-(1-benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-methyl-1h-indole
(S)-BENZYL 2-(PYRROLIDINE-1-CARBONYL)PYRROLIDINE-1-CARBOXYLATE
C17H22N2O3 (302.16303419999997)
6-AMINO-3-AZETIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
9-Hydroxyandrost-4-ene-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, methyl ester,(1S,4aS,10aR)-
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
Benzyl 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
pyrrolidin-1-yl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanone
ethyl 2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]acetate
(4R-Cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-aceticacid,1,1-dimethylethylester
1H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 1-[TRIS(1-METHYLETHYL)SILYL]-
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-[tris(1-methylethyl)silyl]-
TERT-BUTYL 4-(IMIDAZO[1,2-A]PYRIDIN-5-YL)PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
Tandamine
C18H26N2S (302.18165960000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(8R,9S,13S,14S,17S)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
1-Cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
11β-Hydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-[(2S)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one
C17H22N2O3 (302.16303419999997)
tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
tert-Butyl 4-(1H-indazol-3-yl)piperazine-1-carboxylate
tert-Butyl 4-(1H-indazol-6-yl)piperazine-1-carboxylate
(s)-1-[(r)-2-methoxy-1-(4-trifluoromethyl-phenyl)-ethyl]-2-methyl-piperazine
aluminum di(sec-butoxide)acetoacetic ester chelate
C14H27AlO5 (302.16738019999997)
1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine monoacetate
tert-butyl (1r,3r)-1-(4-cyanophenyl)-3-hydroxy-3-MethylcyclobutylcarbaMate
C17H22N2O3 (302.16303419999997)
2,2,2,2-[[(1S)-1-Methyl-1,2-ethanediyl]dinitrilo]tetrakisacetamide
(E)-ethyl 3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
(E)-Ethyl 3-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylate
(R)-Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
C17H22N2O3 (302.16303419999997)
7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
C17H22N2O3 (302.16303419999997)
Bioallethrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
N-(4-morpholinobutyl)benzofuran-2-carboxamide
C17H22N2O3 (302.16303419999997)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
6beta-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2E)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoic acid
11-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic Acid
(R)-3-Methyl-5-(((1Z,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl)oxy)furan-2(5H)-one
N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
Emivirine
C17H22N2O3 (302.16303419999997)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
11-Beta-hydroxyandrostenedione
11beta-Hydroxyandrost-4-ene-3,17-dione is an intermediate in adrenosterone production. 11beta-Hydroxyandrost-4-ene-3,17-dione is produced from androst-4-ene-3,17-dione, a reaction catalyzed by the enzyme cytochrome P450 B [EC:1.14.15.4]. 11beta-Hydroxyandrost-4-ene-3,17-dione is then converted into adrenosterone by the enzyme 11beta-hydroxysteroid dehydrogenase [EC:1.1.1.146]. [HMDB] 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
7-Keto-dehydroepiandrosterone
(8S,9R,10R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione
7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-3,5-dienamide
C17H22N2O3 (302.16303419999997)
(8R,9S,13S,14S,17S)-13-Methyl-3-methylperoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
[3-carboxy-2-[(Z)-3-hydroxyoct-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-6-carboxyhex-4-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-6-carboxyhex-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
[3-carboxy-2-[(E)-2-hydroxyoct-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-hydroxyoct-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-3-carboxy-4-methylpent-2-enoyl]oxypropyl]-trimethylazanium
C14H24NO6+ (302.16035439999996)
7-Keto-dehydroepiandrosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-Methoxyestriol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
C17H22N2O3 (302.16303419999997)
Trigoheteric acid methyl ester, (rel)-
A natural product found in Trigonostemon heterophyllus.
3,17-Dihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one
N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-4-isoxazolecarboxamide
C17H22N2O3 (302.16303419999997)
(16R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
3-[(3,3-dimethyl-1-oxobutyl)amino]-1H-indole-2-carboxylic acid ethyl ester
C17H22N2O3 (302.16303419999997)
1-[2-[2-(2-Methoxy-6-prop-2-enylphenoxy)ethoxy]ethyl]imidazole
C17H22N2O3 (302.16303419999997)
6-de(cyclopropylamino)-6-(S-sec-butylamino)abacavir
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl dihydrogen phosphate
(8R,9R,13S,14S,17R)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
19-Hydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11beta-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 11-Beta-hydroxyandrostenedione (4-Androsten-11β-ol-3,17-dione) is a steroid mainly found in the the adrenal origin (11β-hydroxylase is present in adrenal tissue, but absent in ovarian tissue). 11-Beta-hydroxyandrostenedione is a 11β-hydroxysteroid dehydrogenase (11βHSD) isozymes inhibitor. As 4-androstenedione increases, measuring plasma 11-Beta-hydroxyandrostenedione can distinguish the adrenal or ovarian origin of hyperandrogenism[1][2].
16alpha-Hydroxyandrostenedione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7alpha-hydroxyandrost-4-ene-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-Hydroxyestradiol-3-methyl ether
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-Methoxy-17beta-estradiol
A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group.
8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-yl acetate
2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
10,13-Dimethyl-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,4,17-trione
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
(2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
7-ketodehydroepiandrosterone
A 3beta-hydroxy-Delta(5)-steroid that is dehydroepiandrosterone carrying an additional oxo group at position 7.
3,17-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
A seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3 and 17 and an oxo group at position 9 and in which the A-ring is aromatic.
11-Oxotestosterone
A 3-oxo Delta(4)-steroid that is testosterone carrying an additional oxo substituent at position 11.
(2E,6E)-farnesyl monophosphate
A member of the class of farnesyl phosphates that is the monophosphatr derivative of (2E,6E)-farnesol
2-Hydroxyestradiol 3-methyl ether
A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group.
PGS-IN-1
PGS-IN-1 is a potent inhibitor of prostaglandin synthetase (PGS) with an IC50 of 0.28 μM; also inhibits 5-lipoxygenase with an IC50 of 1.05 μM.
RO-3
RO-3 is a potent, CNS-penetrant, and orally active P2X3 and P2X2/3 antagonist with pIC50s of 5.9 and 7.0 for human homomultimeric P2X3 and heteromultimeric P2X2/3 receptors, respectively. RO-3 shows selectivity for P2X3 and P2X2/3 over all other functional homomultimeric P2X receptors (IC50 >10?μM at P2X1,2,4,5,7)[1].
2-methyl-4-(4-methyl-5-oxo-2h-furan-2-yl)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enal
(4br,7r,8ar,9s)-7-ethenyl-1,4b,7-trimethyl-5,6,8,8a,9,10-hexahydrophenanthrene-2,3,9-triol
(5s)-5-methoxy-5-[(11e)-tetradeca-2,5,8,11-tetraen-1-yl]furan-2-one
(1s)-1-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]ethyl (2z)-2-methylbut-2-enoate
3,4a,5-trimethyl-4-(2-methylpropoxy)-4h,5h,6h,7h-naphtho[2,3-b]furan-9-one
(1s,2r,4r,9s)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
8-isopropyl-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7(12),8,10-trien-9-ol
(4ar,10as)-4a,6-dihydroxy-7-isopropyl-1,1-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(3s,8s,9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl acetate
(6as,9s)-9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indole-10-carbonitrile
6-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione
2-(hept-1-en-1-yl)-3,6-dihydroxy-5-(3-methylbut-2-en-1-yl)benzaldehyde
2-[(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)oxy]oxane-3,4,5-triol
n-[(3s)-2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylpropanimidic acid
C17H22N2O3 (302.16303419999997)
6-benzyl-3-isopropyl-1,4-dimethyl-1,4-diazepane-2,5,7-trione
C17H22N2O3 (302.16303419999997)
(5r)-5-methoxy-5-(tetradeca-2,5,8,11-tetraen-1-yl)furan-2-one
(3s,3as,9ar,9br)-3,6,9-trimethyl-3-(2-methylpropyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(1s,2r)-2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,9,10-triol
(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-6-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
(1r,2s,8ar)-1-isopropyl-4,7-dimethyl-6-oxo-2,3,5,8a-tetrahydro-1h-naphthalen-2-yl (2e)-but-2-enoate
8-[(2r,3s)-3-(hept-6-en-1-yl)oxiran-2-yl]octa-4,6-diyn-3-yl acetate
(8r,9e,15s)-15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-yl acetate
13-o-acetylbaptifoline
C17H22N2O3 (302.16303419999997)
{"Ingredient_id": "HBIN001269","Ingredient_name": "13-o-acetylbaptifoline","Alias": "NA","Ingredient_formula": "C17H22N2O3","Ingredient_Smile": "CC(=O)OC1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "329","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene
{"Ingredient_id": "HBIN006933","Ingredient_name": "3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6048","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S,9R,10S)-3-Acetoxy-9,10-epoxy-1-heptadecene-4,6-diyne
{"Ingredient_id": "HBIN009712","Ingredient_name": "(3S,9R,10S)-3-Acetoxy-9,10-epoxy-1-heptadecene-4,6-diyne","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "CCCCCCCC1C(O1)CC#CC#CC(C=C)OC(=O)C","Ingredient_weight": "302.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "479","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101341430","DrugBank_id": "NA"}
4-hydroxy-[2-trans-3',7'-dimethyl-octa-2',6'-dienyl]-6-methoxy-acetophenone
{"Ingredient_id": "HBIN010460","Ingredient_name": "4-hydroxy-[2-trans-3',7'-dimethyl-octa-2',6'-dienyl]-6-methoxy-acetophenone","Alias": "NA","Ingredient_formula": "C19H26O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15919","TCMID_id": "10773","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acanthoine
{"Ingredient_id": "HBIN014343","Ingredient_name": "acanthoine","Alias": "NA","Ingredient_formula": "C16H22N4O2","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC(C=CCN=CN)N=CN)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "81","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-[1-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethanone
ethyl (2r,3s)-2-[(2z,3s)-n-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate
1-acetyl-5,9-dimethyl-11-(2-methylprop-1-en-1-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4(12)-en-3-one
2-hydroxy-2-methyl-n-[(2s)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]propanimidic acid
C17H22N2O3 (302.16303419999997)
(1s,2r,7r)-2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,7,10-triol
2-(2-hydroxypropan-2-yl)-4b,8-dimethyl-6,8a,9,10-tetrahydro-5h-phenanthrene-1,7-diol
2-[(1r)-1-phenylethyl]-6-[(1s)-1-phenylethyl]phenol
(4s,4ar,5s)-3,4a,5-trimethyl-4-(2-methylpropoxy)-4h,5h,6h,7h-naphtho[2,3-b]furan-9-one
(2s,4ar,10as)-7-(hydroxymethyl)-6-methoxy-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
(1r,9s)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
3-{[5-(n-hydroxy-3-methylbutanamido)pentyl]-c-hydroxycarbonimidoyl}propanoic acid
4-methyl-9-methylidene-14-(penta-3,4-dien-1-yl)-5,12-dioxatricyclo[8.4.0.0⁴,⁶]tetradecan-13-one
(4bs,8ar)-2-(2-hydroxypropan-2-yl)-4b,8-dimethyl-6,8a,9,10-tetrahydro-5h-phenanthrene-1,7-diol
(2e,4e,6r)-6-hydroxy-n,4,6-trimethyl-7-[4-(methylamino)phenyl]-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-yl acetate
6-hydroxy-2-(6-hydroxyhept-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)benzaldehyde
(1r,4r,5r,6s,9r,10s,13s)-6-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-7,12-dione
(1r,2s,4r,7r,8r)-3,3,7,9-tetramethyl-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl 2-methylprop-2-enoate
(6r,7s)-3-ethyl-4,8-dimethyl-7-(3-methylbut-2-en-1-yl)-2-oxaspiro[5.5]undeca-3,8-diene-1,5-dione
1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,3,4,8-tetrahydro-1h-naphthalen-2-yl 2-methylprop-2-enoate
3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
1-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]ethyl 2-methylbut-2-enoate
1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl 2-methylprop-2-enoate
(1r,2r,7r)-2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,7,10-triol
1-(4-hydroxy-3-methoxyphenyl)dodeca-1,4-dien-3-one
(2r,4as,4bs,7r)-7-ethenyl-2,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one
(1s,5s,8r,9s,11s)-1-acetyl-5,9-dimethyl-11-(2-methylprop-1-en-1-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodec-4(12)-en-3-one
7-ethenyl-4a,4b-dihydroxy-1,1,7-trimethyl-3,4,5,6-tetrahydro-2h-phenanthren-9-one
3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydro-1h-cyclobuta[e]indene-1,2,2a,3,4-pentol
7-ethenyl-2,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one
3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl 2-methylprop-2-enoate
3-ethyl-4,8-dimethyl-7-(3-methylbut-2-en-1-yl)-2-oxaspiro[5.5]undeca-3,8-diene-1,5-dione
(8e,10e,14s)-14-hydroxyheptadeca-8,10-dien-4,6-diyn-1-yl acetate
methyl 4-methoxy-3,5-bis(3-methylbut-2-en-1-yl)benzoate
(2r)-2-hydroxy-2-[(1r)-4-methylcyclohex-3-en-1-yl]propyl 3-phenylpropanoate
2-hydroxy-2-(4-methylcyclohex-3-en-1-yl)propyl 3-phenylpropanoate
(2r,4ar,10as)-7-(hydroxymethyl)-6-methoxy-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthren-2-ol
n-hydroxy(2e,4e)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
(6z)-3-isopropyl-6-{[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene}-3h-pyrazine-2,5-diol
(1s,4as,10ar)-1-hydroperoxy-7-isopropyl-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(2r,3r,4s,5s)-2-{[(2e,4s)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol
7-ethenyl-4,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one
(1s,8r,10s,12r)-4-methoxy-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-12-ol
2-[(1r)-1-phenylethyl]-4-[(1s)-1-phenylethyl]phenol
(2e)-4,5,6-trihydroxy-6-[4-(hydroxymethyl)cyclohexyl]-2-methylhept-2-enoic acid
14-hydroxyheptadeca-8,10-dien-4,6-diyn-1-yl acetate
(1r,2r,8ar)-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,3,4,8-tetrahydro-1h-naphthalen-2-yl 2-methylprop-2-enoate
3-amino-n-(2-{[2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl)propanimidic acid
(2z,6e)-8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid
(8r,9z,15s)-15-hydroxyheptadeca-9,16-dien-11,13-diyn-8-yl acetate
(1s,4s,6s,10r,14s)-4-methyl-9-methylidene-14-(penta-3,4-dien-1-yl)-5,12-dioxatricyclo[8.4.0.0⁴,⁶]tetradecan-13-one
14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-10,12-dien-4-yl acetate
C17H22N2O3 (302.16303419999997)
ethyl 2-[n-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate
7-[4-(dimethylamino)phenyl]-6-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
(5r)-5-methoxy-5-[(2z,5z,8z,11z)-tetradeca-2,5,8,11-tetraen-1-yl]furan-2-one
1-isopropyl-4,7-dimethyl-6-oxo-2,3,5,8a-tetrahydro-1h-naphthalen-2-yl but-2-enoate
methyl 3-(3,7-dimethylocta-2,6-dien-1-yl)-4-methoxybenzoate
(1r,2r,2as,3s,4r,4as,7ar,7br)-3-(hydroxymethyl)-6,6,7b-trimethyl-hexahydro-1h-cyclobuta[e]indene-1,2,2a,3,4-pentol
1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
7-methyl-1,3-bis(3-methylbut-2-en-1-yl)purine-2,6-dione
(4s,4ar,5s)-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
1-[(4bs,8r,8ar)-1-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]ethanone
2-hydroxy-2-methyl-n-{1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl}propanimidic acid
C17H22N2O3 (302.16303419999997)
(4as,5s,6r,8ar)-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-1-carboxylic acid
(4as,5r,6s,8ar)-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl 2-methylprop-2-enoate
(3s)-8-[(2r,3s)-3-(hept-6-en-1-yl)oxiran-2-yl]octa-4,6-diyn-3-yl acetate
12-ethenyl-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.0²,⁶]tetradec-2-ene-4,13-dione
(4r,4as,4bs,7r)-7-ethenyl-4,4a-dihydroxy-1,1,7-trimethyl-2,3,4,4b,5,6-hexahydrophenanthren-9-one
(2s,7e,9e)-12-(2h-1,3-benzodioxol-5-yl)dodeca-7,9-dien-2-ol
(1r,2r,7r,8ar)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl 2-methylprop-2-enoate
methyl 4-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxybenzoate
(4ar,4br,7r)-7-ethenyl-4a,4b-dihydroxy-1,1,7-trimethyl-3,4,5,6-tetrahydro-2h-phenanthren-9-one
methyl 4-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxybenzoate
(1e,4e)-1-(4-hydroxy-3-methoxyphenyl)dodeca-1,4-dien-3-one
3,3,7,9-tetramethyl-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl 2-methylprop-2-enoate
(1r,2r,7s,8ar)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl 2-methylprop-2-enoate
6-hydroxy-n,4,6-trimethyl-7-[4-(methylamino)phenyl]-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
n-(2-{3-[(1-hydroxyethylidene)amino]propanoyl}phenyl)-2,2-dimethylbut-3-enimidic acid
C17H22N2O3 (302.16303419999997)
(3s,8r,9z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl acetate
ethyl (2s,3s)-2-[(2z,3s)-n-hydroxy-2-(hydroxyimino)-3-methylpentanamido]-3-methylpentanoate
(1s,2s,5s,6s,7r,8s,9r,12r)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecane-2,5,7,8,12-pentol
methyl 3-[(1r,2r)-7-hydroxy-1,6-dimethyl-2-(prop-1-en-2-yl)-3,4-dihydro-2h-naphthalen-1-yl]propanoate
8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid
(1r,4as,10ar)-1-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
5-hydroxy-6-isopropyl-3-{[5-(2-methylbut-3-en-2-yl)-1h-imidazol-4-yl]methylidene}-1,6-dihydropyrazin-2-one
methyl 3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-4-methoxybenzoate
4-hydroxy-5-isopropyl-2-[(1r)-1,3,3-trimethyl-2-oxocyclohexyl]benzaldehyde
n-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylpropanimidic acid
C17H22N2O3 (302.16303419999997)
2-ethenyl-2,8,8-trimethyl-1,3,4,5,6,7-hexahydrophenanthrene-1,7,10-triol
n-hydroxy(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienimidic acid
C17H22N2O3 (302.16303419999997)
