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-[(2'R,3R,3'R,4S,4'S,5'S)-9-[2-(3-ethylphenyl)ethoxy]-3,3',4',5',8,10-hexahydroxy-7-methoxy-1-oxospiro[5,6-dihydro-3H-2-benzoxocine-4,6'-oxane]-2'-yl]oxy-2-[[(2R)-1-hydroxypropan-2-yl]amino]-5-[[(N'-methylcarbamimidoyl)amino]methoxy]benzoic acid - CCC1=CC(=CC=C1)CCOC2=C(C3=C(CC[C@]4([C@H]([C@@H]([C@H]([C@@H](O4)OC5=C(C=C(C(=C5)N[C@H](C)CO)C(=O)O)OCNC(=NC)N)O)O)O)[C@@H](OC3=O)O)C(=C2O)OC)O	C₃₉H₅₀N₄O₁₆	830.8
-	2-[(3,4-Dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one - CC(=CCC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)O)O)C2=O)O)C	C₂₀H₁₈O₅	338.4
-	Asitrocin - CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H](CC[C@@H](CCCCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O	C₃₅H₆₄O₇	596.9
-	[(2S,3S,4aS,5R,8aS)-5-[(3S)-5-hydroxy-3-methylpentyl]-1,1,4a,6-tetramethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] 2-methylprop-2-enoate - C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2C[C@@]3([C@H](CC=C([C@H]3CC[C@H](C)CCO)C)C([C@@H]2OC(=O)C(=C)C)(C)C)C)O)O)O	C₃₀H₅₀O₈	538.7
-	N-(5-chloro-2-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide - CC1=CC=C(C=C1)N2C3=C(C(=O)NC=N3)N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C	C₂₁H₁₈ClN₅O₂S	439.9
-	5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrazole-3-carboxamide - C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=NNC(=C3)C4=CC=CO4	C₁₈H₁₆N₄O₂	320.3
-	(4Z,6R)-2,6-dimethylocta-2,4-diene - CC[C@@H](C)/C=C\C=C(C)C	C₁₀H₁₈	138.25
-	N-[4-[[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]sulfamoyl]phenyl]acetamide - CC1=NOC(=N1)[C@@H]2C[C@@H](CN2C)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C	C₁₆H₂₁N₅O₄S	379.4
-	(3s)-3,4-Di-N-Hexanoyloxybutyl-1-Phosphocholine - CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC	C₂₁H₄₂NO₇P	451.5
-	(6S)-6-[(E,2S)-2-hydroxy-6-methylhept-4-en-2-yl]-3-methylcyclohex-2-en-1-one - CC1=CC(=O)[C@@H](CC1)[C@](C)(C/C=C/C(C)C)O	C₁₅H₂₄O₂	236.35