Platensimycin A11

AlkaPlorer ID: AK017964

Synonym: None

IUPAC Name: 2,4-dihydroxy-3-[3-[(1S,5S,8S,9R)-9-hydroxy-9-(hydroxymethyl)-5-methyl-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid

Structure

SMILES: C[C@@]1(CCC(O)=NC2=C(O)C=CC(C(=O)O)=C2O)C(=O)C=C[C@@]23CC[C@@H](CC21)[C@@](O)(CO)C3

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InChI: InChI=1S/C24H29NO8/c1-22(7-6-18(29)25-19-15(27)3-2-14(20(19)30)21(31)32)16-10-13-4-8-23(16,9-5-17(22)28)11-24(13,33)12-26/h2-3,5,9,13,16,26-27,30,33H,4,6-8,10-12H2,1H3,(H,25,29)(H,31,32)/t13-,16?,22-,23+,24-/m0/s1

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InChIKey: MBRIHUSUCKPCGN-BHYPFTKCSA-N

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Source

Properties Information

Molecule Weight: 459.4950000000004

TPSA: 167.88

MolLogP: 2.8392000000000017

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information