Epicorazine A; 6-Epimer, 2,3-dihydro, 3β-hydroxy

AlkaPlorer ID: AK297516

Synonym: Epicorazine C, F 3822, Antibiotic F 3822

IUPAC Name: 5,15,16-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-6-ene-2,8,12,18-tetrone

Structure

SMILES: O=C1C=CC(O)C2C1CC13SSC4(CC5C(=O)CC(O)C(O)C5N4C1=O)C(=O)N23

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InChI: InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2

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InChIKey: NCDIBOQDVNONGL-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 438.4830000000002

TPSA: 135.45

MolLogP: -1.5837999999999992

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information