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HIT212101226
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HIT212101226
  • HIT ID:HIT212101226
  • Cas No:11051-88-0
  • 常用名:Cochliodinol
  • IUPAC:2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
    IUPAC:2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  • InChI key:ZXRULNXZJSCTQQ-UHFFFAOYSA-N
  • 分子式:C32H30N2O4
  • 分子量:506.602
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):4
  • LogP:6.977632
  • SMILES:CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)C(c4c[nH]c5ccc(CC=C(C)C)cc45)=C(O)C3=O)c2c1 |c:12,t:33,(-9.08,5.23,;-7.75,4.46,;-6.42,5.23,;-7.75,2.92,;-6.42,2.15,;-5.08,2.92,;-5.08,4.46,;-3.75,5.23,;-2.42,4.46,;-.95,4.93,;-.05,3.69,;-.95,2.44,;-.48,.98,;-1.51,-.17,;-3.01,.15,;-1.03,-1.63,;-2.06,-2.78,;.48,-1.95,;.95,-3.42,;.05,-4.66,;.95,-5.91,;2.42,-5.43,;3.75,-6.2,;5.08,-5.43,;5.08,-3.89,;6.42,-3.12,;6.42,-1.58,;7.75,-.81,;7.75,.73,;9.08,-1.58,;3.75,-3.12,;2.42,-3.89,;1.51,-.81,;3.01,-1.13,;1.03,.66,;2.06,1.8,;-2.42,2.92,;-3.75,2.15,)|
    SMILES:CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)C(c4c[nH]c5ccc(CC=C(C)C)cc45)=C(O)C3=O)c2c1 |c:12,t:33,(-9.08,5.23,;-7.75,4.46,;-6.42,5.23,;-7.75,2.92,;-6.42,2.15,;-5.08,2.92,;-5.08,4.46,;-3.75,5.23,;-2.42,4.46,;-.95,4.93,;-.05,3.69,;-.95,2.44,;-.48,.98,;-1.51,-.17,;-3.01,.15,;-1.03,-1.63,;-2.06,-2.78,;.48,-1.95,;.95,-3.42,;.05,-4.66,;.95,-5.91,;2.42,-5.43,;3.75,-6.2,;5.08,-5.43,;5.08,-3.89,;6.42,-3.12,;6.42,-1.58,;7.75,-.81,;7.75,.73,;9.08,-1.58,;3.75,-3.12,;2.42,-3.89,;1.51,-.81,;3.01,-1.13,;1.03,.66,;2.06,1.8,;-2.42,2.92,;-3.75,2.15,)|
  • Cochliodinol(化合物1)是Apis mellifera ligustica代谢产物,表现出强效的2,2-二苯基-1-苦基肼(DPPH)自由基清除能力(IC50=3.06 μg/mL)。
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