Epoxykinamycin

AlkaPlorer ID: AK326053

Synonym: None

IUPAC Name: [(3S,4S,6R,7R)-9-diazo-3,13-dihydroxy-6-methyl-11,18-dioxo-5-oxapentacyclo[8.8.0.02,8.04,6.012,17]octadeca-1(10),2(8),12(17),13,15-pentaen-7-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1C2=C(C3=C(C2=[N+]=[N-])C(=O)C2=C(O)C=CC=C2C3=O)[C@H](O)[C@@H]2O[C@]12C

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InChI: InChI=1S/C20H14N2O7/c1-6(23)28-18-13-11(17(27)19-20(18,2)29-19)10-12(14(13)22-21)16(26)9-7(15(10)25)4-3-5-8(9)24/h3-5,17-19,24,27H,1-2H3/t17-,18+,19-,20+/m0/s1

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InChIKey: ATRXXFLMCRBZNH-ZGXWSNOMSA-N

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Properties Information

Molecule Weight: 394.33900000000017

TPSA: 149.83

MolLogP: -0.1946200000000004

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information