Tetracycline; 6-Deoxy

AlkaPlorer ID: AK315187

Synonym: 6-Deoxytetracycline

IUPAC Name: 4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Structure

SMILES: CC1C2=CC=CC(O)=C2C(=O)C2=C(O)C3(O)C(=O)C(C(=N)O)=C(O)C(N(C)C)C3CC21

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InChI: InChI=1S/C22H24N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,8,10-11,16,25,27-28,31H,7H2,1-3H3,(H2,23,30)

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InChIKey: PKJSJCXVCCZASJ-UHFFFAOYSA-N

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Reference

COCONUT: CNP0336045.1

Properties Information

Molecule Weight: 428.44100000000014

TPSA: 162.38

MolLogP: 1.73157

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information