jorunnamycin A

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 2
PubChem 16043476
Molecular Formula

C26H27N3O7

SMILES

CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)[C@@H](N3[C@H]2CO)C#N)C(=O)C(=C(C5=O)OC)C)OC

InChI

InChI=1S/C26H27N3O7/c1-10-21(31)12-7-15-20-19-13(22(32)11(2)26(36-5)24(19)34)6-14(28(20)3)16(8-27)29(15)17(9-30)18(12)23(33)25(10)35-4/h14-17,20,30H,6-7,9H2,1-5H3/t14-,15-,16-,17-,20-/m0/s1

synonyms
  • Jorunnamycin A
  • (1R,2S,10R,12R,13S)-10-(Hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraene-12-carbonitrile
  • Journnamycin A
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Properties
Property Value
MW 493.5 g/mol
HBD 1
HBA 10
Rotatable Bond Count 3
Exact Mass 493.18490021 g/mol
Monoisotopic Mass 493.18490021 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1320
xlogp -0.2
Topological Polar Surface Area 137