Summary

IMPPAT Phytochemical identifier: IMPHY006064

Phytochemical name: Viscosin

Synonymous chemical names:
viscosin

External chemical identifiers:
CID:72937, ChEMBL:CHEMBL4059769, FDASRS:085QZ2A9M9

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Chemical structure information

SMILES:
CCCCCCC[C@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)[C@H](CC)C)CCC(=O)O)CC(C)C)O

InChI:
InChI=1S/C54H95N9O16/c1-13-15-16-17-18-19-34(66)25-41(67)55-36(22-28(3)4)47(71)56-35(20-21-42(68)69)46(70)63-45-33(12)79-54(78)44(32(11)14-2)62-51(75)40(27-65)60-48(72)37(23-29(5)6)57-50(74)39(26-64)59-49(73)38(24-30(7)8)58-52(76)43(31(9)10)61-53(45)77/h28-40,43-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,73)(H,60,72)(H,61,77)(H,62,75)(H,63,70)(H,68,69)/t32-,33+,34+,35+,36-,37-,38-,39+,40+,43+,44-,45+/m0/s1

InChIKey:
QYEWAEAWMXRMHB-YFTUCIGFSA-N

DeepSMILES:
CCCCCCC[C@H]CC=O)N[C@H]C=O)N[C@@H]C=O)N[C@@H][C@@H]C)OC=O)[C@@H]NC=O)[C@@H]CO))NC=O)[C@H]CCC)C)))NC=O)[C@H]NC=O)[C@@H]NC=O)[C@H]NC%22=O)))CC)C)))))CCC)C))))))CO)))))))))))[C@H]CC))C)))))))))CCC=O)O)))))))CCC)C)))))))O

Functional groups:
CC(=O)NC, CC(=O)O, CC(=O)OC, CNC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

Scaffold Graph/Node level:
OC1CCOC(O)CNC(O)CNC(O)CNC(O)CNC(O)CNC(O)CN1

Scaffold Graph level:
CC1CCCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CCC(C)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Peptidomimetics

ClassyFire Subclass: Depsipeptides

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Polyketides

NP Classifier Superclass: Oligopeptides

NP Classifier Class: Cyclic peptides, Depsipeptides, Lipopeptides

NP-Likeness score: 1.052

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Chemical structure download