小分子和化合物库

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6 项目

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  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. 杨梅素
    CAS号 : 529-44-2        Compound CID : 5281672
    分子式: C15H10O8        分子量: 318.24
    IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
    InChIKey: IKMDFBPHZNJCSN-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
  4. 迷迭香酸
    CAS号 : 20283-92-5        Compound CID : 5281792
    分子式: C18H16O8        分子量: 360.31
    IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
    SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c2ccc(O)c(O)c2
    InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N
    InChI: InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
  5. 姜黄素
    CAS号 : 458-37-7        Compound CID : 969516
    分子式: C21H20O6        分子量: 368.38
    IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
    SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
    InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N
    InChI: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
  6. 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
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