Molecule

Antibiotic MM 46115

AlkaPlorer ID: AK029708

Synonym: 'MM 46115'

IUPAC Name: 3-chloro-N-[(2S,3S,4S,6R)-4-(dimethylamino)-6-[[(1R,3R,6R,7E,9R,11Z,13S,16S,17R,18S,20S,21S,22S)-14-ethyl-17,18,23-trihydroxy-8,20,22-trimethyl-25,27-dioxo-3-propyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2-methyloxan-3-yl]-6-hydroxy-2-methylbenzamide

Structure

SMILES: CCC[C@H]1C=C[C@@H]2/C=C(\C)[C@H](O[C@H]3C[C@H](N(C)C)[C@H](N=C(O)C4=C(O)C=CC(Cl)=C4C)[C@H](C)O3)C/C=C\[C@H]3C(CC)=C[C@@H]4[C@@H](O)[C@@H](O)C[C@H](C)[C@@H]4[C@]3(C)C(=O)C3=C(O)[C@]2(C1)OC3=O

InChI: InChI=1S/C50H67ClN2O10/c1-10-13-29-16-17-31-20-25(3)38(62-39-23-35(53(8)9)43(28(6)61-39)52-47(59)40-27(5)34(51)18-19-36(40)54)15-12-14-33-30(11-2)22-32-42(26(4)21-37(55)44(32)56)49(33,7)45(57)41-46(58)50(31,24-29)63-48(41)60/h12,14,16-20,22,26,28-29,31-33,35,37-39,42-44,54-56,58H,10-11,13,15,21,23-24H2,1-9H3,(H,52,59)/b14-12-,25-20+/t26-,28-,29-,31+,32-,33-,35-,37-,38+,39-,42-,43+,44+,49+,50+/m0/s1

InChIKey: DIYWRQBECFIIBI-PFWGAVJVSA-N

Reference

MM 46115, a new antiviral antibiotic from Actinomadura pelletieri. Characteristics of the producing cultures, fermentation, isolation, physico-chemical and biological properties.

LOTUS: LTS0072699

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Actinomadura pelletieri	Actinomadura	Thermomonosporaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 891.543

TPSA？: 178.57999999999998

MolLogP？: 8.019420000000009

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi