Platensimycin A4

AlkaPlorer ID: AK017947

Synonym: None

IUPAC Name: 2,4-dihydroxy-3-[3-[(1S,5S,7S,9S)-9-(hydroxymethyl)-5-methyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]benzoic acid

Structure

SMILES: C[C@@]1(CCC(=O)NC2=C(O)C=CC(C(=O)O)=C2O)C(=O)C=C[C@]23CC4C[C@H](O[C@@]4(CO)C2)C31

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InChI: InChI=1S/C24H27NO8/c1-22(6-5-17(29)25-18-14(27)3-2-13(19(18)30)21(31)32)16(28)4-7-23-9-12-8-15(20(22)23)33-24(12,10-23)11-26/h2-4,7,12,15,20,26-27,30H,5-6,8-11H2,1H3,(H,25,29)(H,31,32)/t12?,15-,20?,22+,23-,24+/m0/s1

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InChIKey: NNGABSPACJBNCJ-BXWYOIKBSA-N

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Source

Properties Information

Molecule Weight: 457.4790000000003

TPSA: 153.39

MolLogP: 2.2061

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information