Azinomycin B

AlkaPlorer ID: AK290009

Synonym: Carzinophilin, NSC 20088, SS 42227B, Antibiotic SS 42227B

IUPAC Name: None

Structure

SMILES: COC1=CC(C(=O)OC(C(=O)N/C(C(=O)N/C(=C\O)C(C)=O)=C2\C(OC(C)=O)C(O)C3CN23)C2(C)CO2)=C2C=CC=C(C)C2=C1

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InChI: InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12-,24-23+

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InChIKey: QIKVYJOCQXXRSJ-RFJWLSMPSA-N

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Reference

CAS: 106486-76-4

Properties Information

Molecule Weight: 623.6150000000002

TPSA: 193.1

MolLogP: 0.8939200000000018

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information