小分子和化合物库

选项
视图 列表 网格

显示第112个,产品总数16

设置降序方向
  1. 阿魏酸
    CAS号 : 1135-24-6        Compound CID : 445858
    分子式: C10H10O4        分子量: 194.18
    IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
    InChIKey: KSEBMYQBYZTDHS-HWKANZROSA-N
    InChI: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
  2. 多巴胺
    CAS号 : 51-61-6        Compound CID : 681
    分子式: C8H11NO2        分子量: 153.18
    IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1CCN)O)O
    InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
  3. 多巴胺
    CAS号 : 51-61-6        Compound CID : 681
    分子式: C8H11NO2        分子量: 153.18
    IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1CCN)O)O
    InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
    InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
  4. 全反式视黄醛
    CAS号 : 116-31-4        Compound CID : 638015
    分子式: C20H28O        分子量: 284.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
    InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N
    InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
  5. 去甲二氢愈创木酸
    CAS号 : 500-38-9        Compound CID : 4534
    分子式: C18H22O4        分子量: 302.37
    IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
    SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
    InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N
    InChI: InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
  6. 视黄醇
    CAS号 : 68-26-8        Compound CID : 445354
    分子式: C20H30O        分子量: 286.45
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
    InChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N
    InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
  7. 表儿茶素(EC)
    CAS号 : 490-46-0       
    分子式: C15H14O6        分子量: 290.27
    IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
    InChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-N
    InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
  8. 表儿茶素
    CAS号 : 490-46-0       
    分子式: C15H14O6        分子量: 290.27
    IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
    InChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-N
    InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
  9. 头孢曲松
    CAS号 : 73384-59-5        Compound CID : 5479530
    分子式: C18H18N8O7S3        分子量: 554.58
    IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    SMILES: CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
    InChIKey: VAAUVRVFOQPIGI-SPQHTLEESA-N
    InChI: InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
  10. SU4312,VEGFR和PDGFR受体酪氨酸激酶抑制剂
    CAS号 : 5812-07-7        Compound CID : 6450842
    分子式: C17H16N2O        分子量: 264.3
    IUPAC Name: (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
    SMILES: CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O
    InChIKey: UAKWLVYMKBWHMX-PTNGSMBKSA-N
    InChI: InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
  11. 全反式视黄醛
    CAS号 : 116-31-4        Compound CID : 638015
    分子式: C20H28O        分子量: 284.44
    IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
    SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
    InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N
    InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
  12. 表儿茶素(EC)
    CAS号 : 490-46-0       
    分子式: C15H14O6        分子量: 290.27
    IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
    InChIKey: PFTAWBLQPZVEMU-UKRRQHHQSA-N
    InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
页面
每页