Exact Mass: 358.1814
Exact Mass Matches: 358.1814
Found 415 metabolites which its exact mass value is equals to given mass value 358.1814,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Prednisone
Prednisone is only found in individuals that have used or taken this drug. It is a synthetic anti-inflammatory glucocorticoid derived from cortisone. It is biologically inert and converted to prednisolone in the liver. [PubChem]Prednisone is a glucocorticoid receptor agonist. It is first metabolized in the liver to its active form, prednisolone. Prednisolone crosses cell membranes and binds with high affinity to specific cytoplasmic receptors. The result includes inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3926; ORIGINAL_PRECURSOR_SCAN_NO 3924 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8092 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3954; ORIGINAL_PRECURSOR_SCAN_NO 3949 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8001; ORIGINAL_PRECURSOR_SCAN_NO 7998 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3955; ORIGINAL_PRECURSOR_SCAN_NO 3954 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8041; ORIGINAL_PRECURSOR_SCAN_NO 8039 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3945; ORIGINAL_PRECURSOR_SCAN_NO 3943 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8089; ORIGINAL_PRECURSOR_SCAN_NO 8086 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8045; ORIGINAL_PRECURSOR_SCAN_NO 8040 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3963; ORIGINAL_PRECURSOR_SCAN_NO 3961 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8091 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3943; ORIGINAL_PRECURSOR_SCAN_NO 3941 A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3243 CONFIDENCE standard compound; INTERNAL_ID 2196 CONFIDENCE standard compound; INTERNAL_ID 2401 D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Malabaricone C
Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006). Malabaricone C a diarylnonanoid, shows strong scavenging activity. (PMID 16104820). Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006) Malabaricone C is a butanone. It has a role as a metabolite. Malabaricone C is a natural product found in Myristica cinnamomea, Myristicaceae, and other organisms with data available. A natural product found in Myristica cinnamomea. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1].
Normammein
Normammein is found in fruits. Normammein is a constituent of Mammea americana (mamey) seeds
Monascoflavin
Monascoflavin is a fungal pigment from Monascus species which infests rice and other foodstuffs. Monascoflavin is a food colouran
Mammea B/AC
Mammea B/AC is found in fruits. Mammea B/AC is a constituent of Mammea americana (mamey) seeds Constituent of Mammea americana (mamey) seeds. Mammea B/AC is found in fruits.
Mammea B/BD
Mammea B/BD is found in fruits. Mammea B/BD is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). Mammea B/BD is found in fruits.
Itopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Rislenemdaz
Monascin
Monascin is an organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours. It has a role as an antineoplastic agent, a PPARgamma agonist, an antilipemic drug and a fungal metabolite. It is an organic heterotricyclic compound, a gamma-lactone, an alpha,beta-unsaturated ketone and a polyketide. Monascin is a natural product found in Monascus kaoliang, Monascus purpureus, and Monascus pilosus with data available. An organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours.
Myricanol
Myricanol is a member of the class of compounds known as meta,meta-bridged biphenyls. Meta,meta-bridged biphenyls are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position. Myricanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Myricanol can be found in anise, which makes myricanol a potential biomarker for the consumption of this food product. Myricanol is a natural product found in Myrica nagi, Morella rubra, and other organisms with data available.
[1aR-[1aalpha,4beta,4abeta,5beta(E),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-pentenoic acid
Itopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
12-(??-Methyl butyryl)-14-acetyl-2E,8Z,10E-atractylentriol
5,7-dihydroxy-6-isobutanoyl-8-prenyl-4-propylcoumarin
methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate
rel-(7S,8S,1S,2S)-Delta8-3-hydroxy-2-methoxy-3,4-methylenedioxy-1,2,3,6-tetrahydro-7.O.2,8.1-neolignan
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl acetate
(2S,3R,4aS,5R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-4a-methyl-1,6-dimethylidenenaphthalen-2-yl acetate|inulifolinone H
1-(4-Hydroxyphenyl)-5-methoxy-7-(3-methoxy-4-hydroxyphenyl)-3-heptanone
7-(3,7-dimethyl-7-methoxyocta-2,5-dienyloxy)-8-methoxycoumarin|methylschinilenol
(7S,8S,8S)-7-Hydroxy-3,4-dimethoxy-3,4-methylenedioxy-7.1-seco-6.7,8.8-neolignan|4-(3,4-Dimethyoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol
(8R,3S)-Delta8-4-hydroxy-3,34-trimethoxy-3,6-dihydro-6-oxo-8,3-neolignan|Lancifolin A
3-(5-acetoxyprenyl)-5-prenyl-7Z-p-coumaric acid|3-<5-acetoxyprenyl>-5-prenyl-7Z-p-coumaric acid
caesalpinilinn|methyl (4S,4aS,6aS,7R,10bR,12aR,12bS)-2,3,4,4a,5,6,6a,7,10b,12b-decahydro-4,7-dimethyl-12-oxo-1H-phenanthro[5,4a-bc:6,7-b]difuran-4-carboxylate
(2R,3S,4aS,8R,8aS)-8-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-8a-methyl-4,7-dimethylidenenaphthalen-2-yl acetate|inulifolinone G
(4E,6E,12E)-1-acetoxy-3-isovaleryloxytetradeca-4,6,12-trien-8,10-diyn-14-ol
5-Hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl acetate
6,8-dimethoxy-7-(3,7-dimethylocta-2,6-dienyloxy)coumarin|7-geranyloxy-6,8-dimethoxycoumarin|altissimacoumarin D
1-(2,4-dihydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-3-heptanone
(7S,8R)-7-hydroxy-3,4,3?-trimethoxy-Delta1,3,5,1?,3?,5?,8?-8.O.4?-neolignan
2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,16beta,17beta-tetraol
3,4-Dimethoxy-9-hydroxy-3,4-methylenedioxy-8,8-neolignan
8-O-methylsenecioylaustricin|rel-(3aR,4S,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl (2E)-3-methylpent-2-enoate
11-methoxy-12,14-dihydroxy-13-(2-hydroxypropyl)-3,5,8,11,13-abietapentaen-7-one
(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-2,7-cyclolignane
rel-(7S,8R)-Delta7-3,4,5-trimethoxy-7-hydroxy-8.O.3-neolignan
ericanone|rel-(3R,7R)-1,9-bis(p-hydroxyphenyl)-3,7-dihydroxynonan-5-one
yohimbinic acid
Yohimbic acid hydrate is an amphoteric demethylated derivative of Yohimbine (HY-12715). Yohimbic acid hydrate exhibits vasodilatory action. Yohimbic acid hydrate also can be used for the research of osteoarthritis (OA)[1][2][3].
Prednisone
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2196 CONFIDENCE standard compound; INTERNAL_ID 8744
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate
C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate
15,16-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,17-triol
bisphenol a (2 3-dihydroxypropyl) glycid
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5812
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate_major
Ala Ala Pro Thr
Ala Ala Thr Pro
Ala Pro Ala Thr
Ala Pro Thr Ala
Ala Thr Ala Pro
Ala Thr Pro Ala
Gly Pro Ser Val
Gly Pro Val Ser
Gly Ser Pro Val
Gly Ser Val Pro
Gly Val Pro Ser
Gly Val Ser Pro
Pro Ala Ala Thr
Pro Ala Thr Ala
Pro Gly Ser Val
Pro Gly Val Ser
Pro Ser Gly Val
Pro Ser Val Gly
Pro Thr Ala Ala
Pro Val Gly Ser
Pro Val Ser Gly
Ser Gly Pro Val
Ser Gly Val Pro
Ser Pro Gly Val
Ser Pro Val Gly
Ser Val Gly Pro
Ser Val Pro Gly
Thr Ala Ala Pro
Thr Ala Pro Ala
Thr Pro Ala Ala
Val Gly Pro Ser
Val Gly Ser Pro
Val Pro Gly Ser
Val Pro Ser Gly
Val Ser Gly Pro
Val Ser Pro Gly
Malabaricone C
Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1].
Mammea B/BD
15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
Dracocephalumoid C
2,2-diphenyl-4-piperidin-1-ylbutanamide,hydrochloride
(2R,3S,4R,5R)-2-(Aminomethyl)-5-(6-(benzylamino)-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diol
2-Methyl-2-propanyl 2-benzyl-1,3-dioxo-2,8-diazaspiro[4.5]decane- 8-carboxylate
9β,11β-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione
1-BOC-2-[(2-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(3-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(4-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
MK-0657
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Rislenemdaz (CERC-301) is an orally bioavailable and selective N-methyl-D-aspartate (NMDA) receptor subunit 2B (GluN2B) antagonist with Ki and IC 50 of 8.1 nM and 3.6 nM, respectively.
7,8,9,10,18,19,20,21-Octahydro-6H,17H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine
1,9-Diazaspiro[5.5]undecane, 1-(phenylmethyl)-, 2,2,2-trifluoroacetate (1:1)
16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
5-[(3r)-3-(5-Methoxybiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
2-(3-Methoxy-4-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran
(1S,5S,6R,7R,8R)-7-(3,4-dimethoxyphenyl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione
(+)-(3R)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
Futokadsurin A
A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4 (relatively trans configuration), a 3,4-dimethoxyphenyl moiety at position 5 (relatively trans to the methyl group at position 4) and a 4-hydroxy-3-methoxyphenyl group at position 2 (relatively cis to the methyl group at position 3). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO).
(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-2,7-cyclolignan
A natural product found in Machilus robusta.
rel-(+)-(7S,8S,8S)-4,4-dihydroxy-3,5,5-trimethoxy-2,7-cyclolignan
A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 6 and 7, a hydroxy group at position 2, a methoxy group at position 3 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 8. It has been isolated from the bark of Machilus robusta.
N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazoline-4,6-diamine
Ala-Thr-Ala-Pro
A tetrapeptide composed of L-alanine, L-threonine, L-alanine, and L-proline joined in sequence by peptide linkages.
1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptane
(1S,5R)-6-[(4-fluorophenyl)methyl]-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
(1S,10S,11S,15S,2R,14R)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracycl o[8.7.0.0<2,7>.0<11,15>]heptadeca-3,6-diene-5,17-dione
2,3-Dihydroxypropyl (2-hydroxy-3-octoxypropyl) hydrogen phosphate
(1S,2S,6R,7R)-6-ethyl-1,6-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3-indole]-2-one
kadsurenin C
A neolignan with formula C21H26O5, originally isolated from Piper kadsura.
Delta(6)-prednisolone
A glucocorticoid that is prednisolone in which a double bond is introduced at position 6. It is a metabolite of prednisolone found in human urine.
8-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-8a-methyl-4,7-dimethylidene-hexahydro-1h-naphthalen-2-yl acetate
methyl (2s,4ar,6ar,10ar,10br)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate
3-hydroxy-5-propylphenyl 2,4-dihydroxy-6-pentylbenzoate
5-(2,5-dihydroxyphenyl)-3-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-5h-furan-2-one
methyl 5'-(furan-3-yl)-2,4a-dimethyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
(2s,8e,12s)-12,18-dihydroxy-9,13,13-trimethyl-3,14-dioxatricyclo[13.3.1.1²,⁵]icosa-1(19),5(20),8,15,17-pentaen-4-one
(1r,8r,9s,10s)-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),5-diene-3,4,15-trione
3-{5,7-dimethoxy-2,2-dimethyl-6-[(1z)-3-methylbuta-1,3-dien-1-yl]chromen-8-yl}propanoic acid
2,4-dimethyl 5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-6,8-diene-2,4-dicarboxylate
ethyl 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-12-ene-9-carboxylate
methyl (8as)-5'-(furan-3-yl)-2,4a-dimethyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
methyl 8-ethenyl-5,9,10-trihydroxy-1,7-dimethyl-2h,3h,3ah,4h,9h,10h,10ah-cyclopropa[f]phenanthrene-1-carboxylate
7-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6,8-dimethoxychromen-2-one
methyl (1r,2r,5r,5's)-5'-(furan-3-yl)-2,5-dimethyl-2'-oxo-2,3,4,6,7,8-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate
7-acetyl-3-oxo-6-(1,3,3-trimethylcyclohexyl)-1h-2-benzofuran-1-yl acetate
2-methoxy-4-[(1s,2s)-1-methoxy-2-{2-methoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl]phenol
(4s,6s)-6-[(2r)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-4-methoxy-6-(prop-2-en-1-yl)cyclohex-2-en-1-one
(9r,9as)-9-hydroxy-6,9a-dimethyl-3-octanoyl-9h-furo[3,2-g]isochromen-2-one
4-[(2s,3r,4r,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
4-[(1s,2r,3s)-4-(2h-1,3-benzodioxol-5-yl)-1-methoxy-2,3-dimethylbutyl]-2-methoxyphenol
5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-(prop-1-en-2-yl)-3,4-dihydro-2h-phenanthren-9-one
(2e)-3-{3-[(2e,6e)-8-(acetyloxy)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}prop-2-enoic acid
methyl 4,11b-diformyl-7-methyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylate
1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]propan-1-ol
methyl (1r,3ar,4ar,9s,10s,10as)-8-ethenyl-5,9,10-trihydroxy-1,7-dimethyl-2h,3h,3ah,4h,9h,10h,10ah-cyclopropa[f]phenanthrene-1-carboxylate
8-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
2-[(2s,7s,8r,8ar)-7-[(4e)-hex-4-enoyloxy]-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid
(3s,7s)-3,7-dihydroxy-1,9-bis(4-hydroxyphenyl)nonan-5-one
3-hydroxy-5-pentylphenyl 2,4-dihydroxy-6-propylbenzoate
5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),5-diene-3,4,15-trione
(1s)-7-acetyl-3-oxo-6-[(1s)-1,3,3-trimethylcyclohexyl]-1h-2-benzofuran-1-yl acetate
2,4-dimethyl (1s,2s,3s,4s,5s,12r)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-6,8-diene-2,4-dicarboxylate
4-[(1r,2r,3r)-4-(2h-1,3-benzodioxol-5-yl)-1-methoxy-2,3-dimethylbutyl]-2-methoxyphenol
(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone
{"Ingredient_id": "HBIN003156","Ingredient_name": "(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone","Alias": "(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one","Ingredient_formula": "C21H26O5","Ingredient_Smile": "NA","Ingredient_weight": "358.43","OB_score": "64.64575322","CAS_id": "145722-88-9","SymMap_id": "SMIT02942","TCMID_id": "NA","TCMSP_id": "MOL000318","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-hydroxydihydrorankinidine
{"Ingredient_id": "HBIN003409","Ingredient_name": "20-hydroxydihydrorankinidine","Alias": "NA","Ingredient_formula": "C20H26N2O4","Ingredient_Smile": "CCC1(CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC)O","Ingredient_weight": "358.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10009","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101606432","DrugBank_id": "NA"}
altissimacouniarin D
{"Ingredient_id": "HBIN015782","Ingredient_name": "altissimacouniarin D","Alias": "NA","Ingredient_formula": "C21H26O5","Ingredient_Smile": "CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34522","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
