科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
-	4-[(2S,6R)-10,10-dimethyl-1,3,9-trioxaspiro[5.5]undecan-2-yl]-N,N-dimethylaniline - CC1(C[C@]2(CCO[C@@H](O2)C3=CC=C(C=C3)N(C)C)CCO1)C	C₁₈H₂₇NO₃	305.4
-	Dysidenone A - C[C@@H]1[C@@H]2CCC=C([C@]2(CC[C@]1(C)C[C@H]3C(=O)C(=C[C@]3(C(=O)OC)O)OC)C)C	C₂₃H₃₄O₅	390.5
-	2-amino-N-[1-[[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-15-[(2S)-butan-2-yl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide - CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(C)C)[C@@H](C(C)C)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N)C2=CC=CC=C2)CO)[C@@H](C(=O)N)O)[C@H](C)O	C₅₈H₉₇N₁₅O₁₇	1276.5
-	[2-[(3-Methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate - CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Cl	C₂₁H₁₃ClO₄S	396.8
-	10-Epi-beta-eudesmol - C[C@@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O	C₁₅H₂₆O	222.37
74991-36-9	4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol - C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3	C₂₁H₂₇NO₂	325.4
-	4-[[(30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]imino]-3-[[1,4-dihydroxy-2-[[1-hydroxy-2-[(1-hydroxy-10-methylundecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid - C[C@@H]1[C@@H](C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=O)O1)CC(=O)C2=CC=CC=C2N)O)C(C)CC(=O)O)O)CO)O)O)CC(=O)O)O)C)O)CC(=O)O)O)CCCN)O)O)N=C(C(CC(=O)O)N=C(C(CC(=N)O)N=C(C(CC3=CNC4=CC=CC=C43)N=C(CCCCCCCCC(C)C)O)O)O)O	C₇₄H₁₀₅N₁₇O₂₆	1648.7
-	N-[[(1S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]-2-nitroaniline;iodide - C[N+]12CCCC[C@@H]1[C@@H](CCC2)CNC3=CC=CC=C3[N+](=O)[O-].[I-]	C₁₇H₂₆IN₃O₂	431.3
2054-36-6	1-Hydroxy-3,6,7-trimethoxyxanthen-9-one - COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)OC)O	C₁₆H₁₄O₆	302.28
-	2-[[15-Butan-2-yl-21-[3-(diaminomethylideneamino)propyl]-12-(2-methylpropyl)-10,13,16,19,22,25-hexaoxo-9-[(5-oxopyrrolidine-2-carbonyl)amino]-8-propan-2-yl-2,11,14,17,20,23,26,30,32-nonazapentacyclo[16.14.2.13,7.129,32.04,33]hexatriaconta-1(33),3,5,7(36),29(35),30-hexaene-27-carbonyl]amino]butanedioic acid - CCC(C)C1C(=O)NC2CC3=C(NC4=C3C=CC(=C4)C(C(C(=O)NC(C(=O)N1)CC(C)C)NC(=O)C5CCC(=O)N5)C(C)C)N6C=C(CC(NC(=O)CNC(=O)C(NC2=O)CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)O)N=C6	C₅₂H₇₃N₁₅O₁₃	1116.2