Exact Mass: 411.30969060000007
Exact Mass Matches: 411.30969060000007
Found 35 metabolites which its exact mass value is equals to given mass value 411.30969060000007,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Cyclopamine
C27H41NO2 (411.31371260000003)
Cyclopamine is a member of piperidines. It has a role as a glioma-associated oncogene inhibitor. Cyclopamine is a natural product found in Veratrum grandiflorum, Veratrum dahuricum, and Veratrum californicum with data available. Cyclopamine is a naturally occurring chemical that belongs to the group of steroidal jerveratrum alkaloids. It is a teratogen isolated from the corn lily (Veratrum californicum) that causes usually fatal birth defects. It can prevent the fetal brain from dividing into two lobes (holoprosencephaly) and cause the development of a single eye (cyclopia). It does so by inhibiting the hedgehog signaling pathway (Hh). Cyclopamine is useful in studying the role of Hh in normal development, and as a potential treatment for certain cancers in which Hh is overexpressed. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7995; ORIGINAL_PRECURSOR_SCAN_NO 7993 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8002; ORIGINAL_PRECURSOR_SCAN_NO 8001 CONFIDENCE standard compound; INTERNAL_ID 654; 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 8038 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8047; ORIGINAL_PRECURSOR_SCAN_NO 8046 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8048; ORIGINAL_PRECURSOR_SCAN_NO 8045 CONFIDENCE standard compound; INTERNAL_ID 654; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 Data obtained from a cyclopamine standard purchased from Logan Natural Products, Logan, Utah USA. Cyclopamine is a Hedgehog (Hh) pathway antagonist with an IC50 of 46 nM in the Hh cell assay. Cyclopamine is also a selective Smo inhibitor. Cyclopamine is a Hedgehog (Hh) pathway antagonist with an IC50 of 46 nM in the Hh cell assay. Cyclopamine is also a selective Smo inhibitor.
Cyclopamine
C27H41NO2 (411.31371260000003)
4(3H)-Pyridone, 2,5-dihydro-6-(3.beta.-hydroxypregn-5-en-20-yl)-3-methyl-
C27H41NO2 (411.31371260000003)
hexadecyl(2-hydroxyethyl)dimethylammonium dihydrogen phosphate
C20H46NO5P (411.31134360000004)
(1S,2S,4S,5R,6R,7S,8R,9R,12S,13R)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2-piperidine]-16-one
C27H41NO2 (411.31371260000003)
2-[(3R,6aS,8S,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3S,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3S,6aS,8S,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3S,6aS,8R,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3R,6aS,8R,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3R,6aR,8R,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
2-[(3S,6aR,8R,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
C22H41N3O4 (411.30969060000007)
20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-2(11)-en-17-one
C27H41NO2 (411.31371260000003)
8-quinolyl octadecanoate
C27H41NO2 (411.31371260000003)
{"Ingredient_id": "HBIN013890","Ingredient_name": "8-quinolyl octadecanoate","Alias": "quinolin-8-yl octadecanoate; 86137-76-0; stearic acid 8-quinolyl ester; octadecanoic acid 8-quinolyl ester; NSC179828","Ingredient_formula": "C27H41NO2","Ingredient_Smile": "CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1N=CC=C2","Ingredient_weight": "411.62","OB_score": "44.79195313","CAS_id": "86137-76-0","SymMap_id": "SMIT09641","TCMID_id": "NA","TCMSP_id": "MOL008334","TCM_ID_id": "NA","PubChem_id": "301748","DrugBank_id": "NA"}
(1r,2s,4r,5's,6s,7s,8s,12s,13r,16s)-5',7,8,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-9,18-dien-16-ol
C27H41NO2 (411.31371260000003)
(1s,2s,4s,5'r,6r,7s,8r,9s,12s,13r)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-17-en-16-one
C27H41NO2 (411.31371260000003)
1-{6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.0³,¹¹.0⁶,¹⁰.0¹⁵,²⁰]docosa-1,3-dien-7-yl}ethanone
C27H41NO2 (411.31371260000003)
(1r,2s,4r,5'r,6s,7s,8s,12s,13r,16s)-5',7,8,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-9,18-dien-16-ol
C27H41NO2 (411.31371260000003)
1-[(6r,7r,10s,11r,14r,15r,18r,20r)-6,10,15,18,19-pentamethyl-17-oxa-19-azapentacyclo[12.8.0.0³,¹¹.0⁶,¹⁰.0¹⁵,²⁰]docosa-1,3-dien-7-yl]ethanone
C27H41NO2 (411.31371260000003)
5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-17-en-16-one
C27H41NO2 (411.31371260000003)
5',7,8,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-9,18-dien-16-ol
C27H41NO2 (411.31371260000003)
(1r,6r,9s,10r,14s,15s,18s,20s,23r,24s)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-2(11)-en-17-one
C27H41NO2 (411.31371260000003)