Ambiguine E isonitrile

AlkaPlorer ID: AK284135

Synonym: A 89271D, Antibiotic A 89271D

IUPAC Name: 3-chloro-4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10(18),12,14,16-tetraen-19-ol

Structure

SMILES: [C-]#[N+]C12C3OC3C(C)(C)C3=C4C5=C(C=CC=C5C(C)(C)C(CC(Cl)C1(C)C=C)C42O)N3

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InChI: InChI=1S/C26H29ClN2O2/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20-21(31-20)26(24,28-7)25(15,18)30/h8-11,15-16,20-21,29-30H,1,12H2,2-6H3

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InChIKey: LYCKQMCCONKVPQ-UHFFFAOYSA-N

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Reference

PubChem CID: 56661015

CAS: 138666-16-7

Properties Information

Molecule Weight: 436.9830000000002

TPSA: 52.91

MolLogP: 5.182990000000006

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information