Kinamycin C

AlkaPlorer ID: AK017538

Synonym: 'Kinamycin C'

IUPAC Name: [(1R,2S,3S,4S)-2,4-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[b]carbazol-1-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1C2=C([C@H](OC(C)=O)[C@](C)(O)[C@H]1OC(C)=O)N(C#N)C1=C2C(=O)C2=CC=CC(O)=C2C1=O

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InChI: InChI=1S/C24H20N2O10/c1-9(27)34-21-16-15-17(20(32)14-12(19(15)31)6-5-7-13(14)30)26(8-25)18(16)22(35-10(2)28)24(4,33)23(21)36-11(3)29/h5-7,21-23,30,33H,1-4H3/t21-,22+,23+,24+/m1/s1

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InChIKey: BQWLWNOFIHHESO-SBFWRKJZSA-N

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Properties Information

Molecule Weight: 496.4280000000003

TPSA: 182.22

MolLogP: 1.2029800000000002

Number of H-Donors: 2

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information