Ambiguine B isonitrile; Deoxy

AlkaPlorer ID: AK284130

Synonym: Ambiguine A isonitrile, A 89271B, Antibiotic A 89271B

IUPAC Name: 5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-15-(2-methylbut-3-en-2-yl)-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene

Structure

SMILES: [C-]#[N+]C1C2C3=C(C(C)(C)C=C)NC4=CC=CC(=C34)C(C)(C)C2CC(Cl)C1(C)C=C

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InChI: InChI=1S/C26H31ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h9-13,16,18,20,23,29H,1-2,14H2,3-7H3

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InChIKey: GHYIJWADNLIVDB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 407.0010000000002

TPSA: 20.15

MolLogP: 7.113790000000006

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information