Methylpendolmycin

AlkaPlorer ID: AK306198

Synonym: None

IUPAC Name: 10-butan-2-yl-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one

Structure

SMILES: C=CC(C)(C)C1=CC=C2C3=C1NC=C3CC(CO)N=C(O)C(C(C)CC)N2C

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InChI: InChI=1S/C23H33N3O2/c1-7-14(3)21-22(28)25-16(13-27)11-15-12-24-20-17(23(4,5)8-2)9-10-18(19(15)20)26(21)6/h8-10,12,14,16,21,24,27H,2,7,11,13H2,1,3-6H3,(H,25,28)

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InChIKey: DALRIICDQKRRFF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 383.5360000000001

TPSA: 71.85

MolLogP: 4.355900000000003

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information