Dactylocycline B

AlkaPlorer ID: AK325949

Synonym: None

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

Structure

SMILES: COC1=CC(O)=C2C(O)=C3C(=O)C4(O)C(O)=C(C(=N)O)C(=O)C(N(C)C)C4(O)CC3C(C)(OC3CC(C)([N+](=O)[O-])C(OC)C(C)O3)C2=C1Cl

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InChI: InChI=1S/C31H38ClN3O14/c1-11-26(47-7)28(2,35(44)45)10-15(48-11)49-29(3)12-9-30(42)23(34(4)5)22(38)18(27(33)41)25(40)31(30,43)24(39)16(12)21(37)17-13(36)8-14(46-6)20(32)19(17)29/h8,11-12,15,23,26,36-37,40,42-43H,9-10H2,1-7H3,(H2,33,41)

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InChIKey: TZTDHPHRCVMDBT-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 712.1050000000001

TPSA: 262.67

MolLogP: 1.6654700000000016

Number of H-Donors: 7

Number of H-Acceptors: 15

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information