10-epi-Maltophilin

AlkaPlorer ID: AK009729

Synonym: '', 'Maltophilin', 'Xanthobaccin A'

IUPAC Name: (3E,5R,8S,9S,10R,11S,13S,15R,16R,18Z,24R,25R)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone

Structure

SMILES: CC[C@H]1C[C@H]2C[C@@H]3[C@@H]4C/C=C\C(O)=NCC[C@@H](O)[C@H]5N=C(O)C(=C5O)C(=O)/C=C/[C@H]4CC(=O)[C@@H]3[C@@H]2[C@@H]1C

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InChI: InChI=1S/C29H38N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21,24-25,27,33,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15+,16+,17+,18-,19-,21-,24-,25-,27-/m1/s1

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InChIKey: ZIFOVGPOLIICJX-GFUXSWMKSA-N

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Properties Information

Molecule Weight: 510.63100000000026

TPSA: 139.78

MolLogP: 4.069600000000003

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information