Platencin A2

AlkaPlorer ID: AK025785

Synonym: None

IUPAC Name: 2,4-dihydroxy-3-[3-[(5S,9S)-9-hydroxy-5-methyl-12-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid

Structure

SMILES: C=C1CC23C=CC(=O)[C@@](C)(CCC(O)=NC4=C(O)C=CC(C(=O)O)=C4O)C2CC1[C@@H](O)C3

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InChI: InChI=1S/C24H27NO7/c1-12-10-24-8-5-18(28)23(2,17(24)9-14(12)16(27)11-24)7-6-19(29)25-20-15(26)4-3-13(21(20)30)22(31)32/h3-5,8,14,16-17,26-27,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t14?,16-,17?,23-,24?/m0/s1

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InChIKey: VABLHCSPDCPVNA-CLEJQCKHSA-N

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Source

Properties Information

Molecule Weight: 441.4800000000001

TPSA: 147.65

MolLogP: 3.642800000000001

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis Activity None None 10.1021/np100635f
Enterococcus faecium Enterococcus faecium Activity None None 10.1021/np100635f
Escherichia coli Escherichia coli Activity None None 10.1021/np100635f
Haemophilus influenzae Haemophilus influenzae Activity None None 10.1021/np100635f
Staphylococcus aureus 3-oxoacyl-[acyl-carrier-protein] synthase 2 Inhibition None % 10.1021/np100635f
Staphylococcus aureus Staphylococcus aureus Activity None None 10.1021/np100635f
Streptococcus pneumoniae Streptococcus pneumoniae Activity None None 10.1021/np100635f

Metabolism Information