Kinamycin A

AlkaPlorer ID: AK326355

Synonym: None

IUPAC Name: [(1R,2R,3R,4S)-1,2-diacetyloxy-11-diazo-4,9-dihydroxy-2-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[b]fluoren-3-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1C2=C(C3=C(C(=O)C4=C(O)C=CC=C4C3=O)[C-]2[N+]#N)[C@H](O)[C@@H](OC(C)=O)[C@]1(C)OC(C)=O

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InChI: InChI=1S/C24H20N2O10/c1-8(27)34-22-17-15(21(33)23(35-9(2)28)24(22,4)36-10(3)29)14-16(18(17)26-25)20(32)13-11(19(14)31)6-5-7-12(13)30/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m0/s1

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InChIKey: JIYPIUWXCOFASH-OLKYXYMISA-N

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Properties Information

Molecule Weight: 496.4280000000003

TPSA: 181.65

MolLogP: 2.27578

Number of H-Donors: 2

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information