Kinamycin B

AlkaPlorer ID: AK326356

Synonym: None

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

Structure

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

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

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InChIKey: UZCOWBDCSCNWHJ-MTQWCTHYSA-N

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Properties Information

Molecule Weight: 412.3540000000001

TPSA: 169.51

MolLogP: 1.1341799999999995

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information