mocimycin

AlkaPlorer ID: AK013476

Synonym: 'Mocimycin'

IUPAC Name: (2S)-N-[(2E,4E,6S,7R)-7-[(3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]butanamide

Structure

SMILES: C/C=C/C=C/[C@@H]1O[C@](O)([C@H](CC)C(O)=NC/C=C/C=C(\C)[C@@H](OC)[C@@H](C)C2O[C@H](/C=C/C=C/C=C(C)/C(O)=C3/C(=O)C=CN=C3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)C1(C)C

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InChI: InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,47-51,54H,10,23H2,1-8H3,(H,44,52)(H,45,53)/b11-9+,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+,33-32+/t27-,28-,30-,31+,34+,35+,36-,37?,38+,39-,43-/m1/s1

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InChIKey: LWXUPCAADQWXRE-ZVQZFZSASA-N

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Source

Properties Information

Molecule Weight: 796.9550000000004

TPSA: 231.32

MolLogP: 4.503300000000005

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information