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Americine

PropertiesImage
MNX_IDMNXM41747 Image of MNXM41747
referencechebi:2632
formulaC31H39N5O4
global charge0
mol weight545.684
InChIKeySBDJWBSJRCPRDV-DAEFBSHISA-N
InChIInChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-/t25-,26-,27-,28-/m0/s1
SMILESCN[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N/C=C\C2=CC=C(C=C2)O[C@H]1C(C)C)C(C)C
MNX internals
InChI (mnx)InChI=1/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/b15-14-/t25-,26-,27-,28-/m0/s1 Image of MNXM41747
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@@H:26]([C:30](=[N:36][C@H:27]1[C@H:28]([CH:19]([CH3:3])[CH3:4])[O:40][C:22]2=[CH:13][CH:11]=[C:20]([CH:10]=[CH:12]2)/[CH:14]=[CH:15]\[N:33]=[C:29](\[OH:37])[C@H:25]([CH2:16][C:21]2=[CH:17][NH:34][C:24]3=[CH:9][CH:7]=[CH:6][CH:8]=[C:23]23)[N:35]=[C:31]1[OH:39])[OH:38])[NH:32][CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd06886
seedM:cpd06886
CHEBI:2632
chebi:2632
kegg.compound:C09996
keggC:C09996
SBDJWBSJRCPRDV-DAEFBSHISA-N
SBDJWBSJRCPRDV-DAEFBSHISA-O 		Americine
hmdb:HMDB0034441
SBDJWBSJRCPRDV-PFONDFGASA-N 		Americine
N-[(10Z)-5,8-Dihydroxy-7-[(1H-indol-3-yl)methyl]-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-3-methyl-2-(methylamino)butanimidate
N-[(10Z)-7-(1H-indol-3-ylmethyl)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
N-[7-(1H-indol-3-Ylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide, 9ci

hmdb:HMDB34441
keggC:M_C09996
seedM:M_cpd06886 		secondary/obsolete/fantasy identifier