Mimimycin

HCID 99991

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Basic information

CAS: 72657-06-8
Standard SMILES: CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC
InChIKey: VJRAUFKOOPNFIQ-UHFFFAOYSA-N
Molecular formula: C42H55NO17
Average molar mass: 845.9 g/mol
Monoisotopic mass: 845.34699929

Names & identifiers

Preferred name: Mimimycin
IUPAC: methyl 4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Names & synonyms

Mimimycin72657-06-8methyl 4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate10-epi-MarcellomycinNeuro_0001251-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7,10-tetrahydroxy-, methyl ester, (1S-(1-alpha,2-alpha,4-alpha))-NSC304417NSC 304417NSC-304417

Database identifiers

CAS: 72657-06-8
PubChem CID: 99991
ChEMBL: CHEMBL504420

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 261 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 18
Rotatable bonds: 10
Heavy atoms: 60
Formal charge: 0
Complexity: 1,550

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Compound notes

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