Leucomycin V; 9-Ketone, 3,4-dipropanoyl

AlkaPlorer ID: AK304283

Synonym: Midecamycin A3, SF 837A3, Antibiotic SF 837A3 

IUPAC Name: [6-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate

Structure

SMILES: CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC

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InChI: InChI=1S/C41H65NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-27,29,33-40,48-49H,11-12,16,18,20-22H2,1-10H3

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InChIKey: POOQYAXQHUANTP-UHFFFAOYSA-N

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Reference

PubChem CID: 78410575

CAS: 36025-69-1

COCONUT: CNP0159008.7

Properties Information

Molecule Weight: 811.9630000000002

TPSA: 202.89

MolLogP: 2.9756000000000062

Number of H-Donors: 2

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information