(12R,13R,18S)-8,12-dihydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1,4,7,9-tetraene-6,14-dione

AlkaPlorer ID: AK204773

Synonym: None

IUPAC Name: (12R,13R,18S)-8,12-dihydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),4,8-tetraene-6,14-dione

Structure

SMILES: CC1=CC(=O)C2=C(O)C=C3O[C@@H](O)[C@@H]4C(O)=NCC[C@@H]4C3=C2O1

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InChI: InChI=1S/C16H15NO6/c1-6-4-8(18)13-9(19)5-10-11(14(13)22-6)7-2-3-17-15(20)12(7)16(21)23-10/h4-5,7,12,16,19,21H,2-3H2,1H3,(H,17,20)/t7-,12+,16-/m1/s1

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InChIKey: FMSDYYNCMGQCLN-TYFHCQHQSA-N

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Properties Information

Molecule Weight: 317.2970000000001

TPSA: 112.49

MolLogP: 1.5778199999999998

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information