Ketoanhydrokinamycin

AlkaPlorer ID: AK303575

Synonym: 1a,2,4,9,10,10a-Hexahydro-5,10-dihydroxy-1a-methyl-2,4,9-trioxo-3H-benz[b]oxireno[h]carbazole-3-carbonitrile, Antibiotic Y1 

IUPAC Name: 3,13-dihydroxy-6-methyl-7,11,18-trioxo-5-oxa-9-azapentacyclo[8.8.0.02,8.04,6.012,17]octadeca-1(10),2(8),12(17),13,15-pentaene-9-carbonitrile

Structure

SMILES: CC12OC1C(O)C1=C(C2=O)N(C#N)C2=C1C(=O)C1=CC=CC(O)=C1C2=O

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InChI: InChI=1S/C18H10N2O6/c1-18-16(25)12-10(15(24)17(18)26-18)9-11(20(12)5-19)14(23)8-6(13(9)22)3-2-4-7(8)21/h2-4,15,17,21,24H,1H3

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InChIKey: KDYOPCMAEMQJTG-UHFFFAOYSA-N

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Reference

PubChem CID: 14287685

COCONUT: CNP0217849.2

Properties Information

Molecule Weight: 350.28600000000006

TPSA: 132.92000000000002

MolLogP: 0.6854799999999999

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information