Molecule

Epelmycin D

AlkaPlorer ID: AK021464

Synonym: None

IUPAC Name: methyl (1R,2S,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Structure

SMILES: CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1C(=O)OC

InChI: InChI=1S/C30H35NO11/c1-6-30(39)11-16(42-17-10-14(31(3)4)24(33)12(2)41-17)19-20(23(30)29(38)40-5)28(37)21-22(27(19)36)26(35)18-13(25(21)34)8-7-9-15(18)32/h7-9,12,14,16-17,23-24,32-33,36-37,39H,6,10-11H2,1-5H3/t12-,14-,16+,17+,23-,24+,30-/m0/s1

InChIKey: CVACSAHKWDLUII-BXTJAPIWSA-N

Reference

Anthracycline metabolites from Streptomyces violaceus A262. I. Isolation of antibiotic-blocked mutants from Streptomyces violaceus A262.

PubChem CID: 139589243

LOTUS: LTS0224203

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NPAtlas: NPA021291

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces violaceus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 585.6060000000003

TPSA？: 183.29

MolLogP？: 1.8639

Number of H-Donors: 5

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi