Dactylocycline A; Aglycone

AlkaPlorer ID: AK294260

Synonym: Dactylocyclinone, 4a-Hydroxy-8-methoxychlorotetracycline, Sch 34164, Antibiotic Sch 34164 

IUPAC Name: 7-chloro-4-(dimethylamino)-1,4a,6,10,11,12a-hexahydroxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide

Structure

SMILES: COC1=CC(O)=C2C(=O)C3=C(O)C4(O)C(=O)C(C(=N)O)=C(O)C(N(C)C)C4(O)CC3C(C)(O)C2=C1Cl

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InChI: InChI=1S/C23H25ClN2O10/c1-21(33)7-6-22(34)17(26(2)3)16(29)12(20(25)32)19(31)23(22,35)18(30)10(7)15(28)11-8(27)5-9(36-4)14(24)13(11)21/h5,7,17,27,29-30,33-35H,6H2,1-4H3,(H2,25,32)

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InChIKey: ANJLTOOLWORDTB-UHFFFAOYSA-N

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Reference

COCONUT: CNP0286203.2

Properties Information

Molecule Weight: 524.9100000000002

TPSA: 212.07

MolLogP: 0.6124700000000005

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information