Kinamycin E

AlkaPlorer ID: AK019978

Synonym: 'Kinamycin E'

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

Structure

SMILES: CC(=O)O[C@@H]1C2=C(C3=C(C(=O)C4=C(O)C=CC=C4C3=O)N2C#N)[C@H](O)[C@@H](O)[C@@]1(C)O

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InChI: InChI=1S/C20H16N2O8/c1-7(23)30-19-14-12(17(27)18(28)20(19,2)29)11-13(22(14)6-21)16(26)10-8(15(11)25)4-3-5-9(10)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1

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InChIKey: SCLQHBRYNQYXBX-MTQWCTHYSA-N

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Properties Information

Molecule Weight: 412.3540000000001

TPSA: 170.07999999999998

MolLogP: 0.0613800000000001

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information