maridomycin   Click here for help

GtoPdb Ligand ID: 10828

Synonyms: LS-87912 | Maridomycin III
Compound class: Synthetic organic
Comment: Maridomycin is an experimental macrolide antibacterial [1-2] that was developed by Takeda.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 17
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 218.58
Molecular weight 829.45
XLogP 1.58
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C
Isomeric SMILES O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C
InChI InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+
InChI Key FFXJTOKFQATYBI-BUHFOSPRSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
3650 maridomycin
Synonyms Click here for help
LS-87912 | Maridomycin III
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo
Other databases
GtoPdb PubChem SID 405560269
PubChem CID 6436045
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UniChem Compound Search for chemical match using the InChIKey FFXJTOKFQATYBI-BUHFOSPRSA-N
UniChem Connectivity Search for chemical match using the InChIKey FFXJTOKFQATYBI-BUHFOSPRSA-N