Antibiotic BE 14106; 8-Deoxy

AlkaPlorer ID: AK288281

Synonym: Antibiotic GT 32B, GT 32B, Immunosuppressant GT 32B

IUPAC Name: 20-hex-2-enyl-10-hydroxy-7,15-dimethyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

Structure

SMILES: CCCC=CCC1CC=CC=C(C)C=CC=CC(O)CC=C(C)C=CC=CC(O)=N1

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InChI: InChI=1S/C27H37NO2/c1-4-5-6-7-17-25-18-11-8-14-23(2)15-9-12-19-26(29)22-21-24(3)16-10-13-20-27(30)28-25/h6-16,19-21,25-26,29H,4-5,17-18,22H2,1-3H3,(H,28,30)

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InChIKey: UMYFIUGQWGBKLX-UHFFFAOYSA-N

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Reference

PubChem CID: 76749890

COCONUT: CNP0113722.2

Properties Information

Molecule Weight: 407.5980000000002

TPSA: 52.82

MolLogP: 6.8862000000000085

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information