2-Acetyl-2-decarboxamidotetracycline; 5-Hydroxy

AlkaPlorer ID: AK020956

Synonym: 2-Acetyl-2-decarboxamidooxytetracycline, Terramycin X

IUPAC Name: 3-acetyl-1-(dimethylamino)-4,4a,6,7,11,12-hexahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione

Structure

SMILES: CC(=O)C1=C(O)C2(O)C(=O)C3=C(O)C4=C(C=CC=C4O)C(C)(O)C3C(O)C2C(N(C)C)C1=O

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InChI: InChI=1S/C23H25NO9/c1-8(25)11-18(28)16(24(3)4)15-19(29)14-13(21(31)23(15,33)20(11)30)17(27)12-9(22(14,2)32)6-5-7-10(12)26/h5-7,14-16,19,26-27,29-30,32-33H,1-4H3

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InChIKey: IEXLMWZQCURUMB-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 459.4510000000002

TPSA: 175.82999999999998

MolLogP: -0.2965000000000004

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information