Platensimycin A6 methyl ester

AlkaPlorer ID: AK005940

Synonym: None

IUPAC Name: methyl 2,4-dihydroxy-3-[3-[(1R,2R,5S,7S,9S)-2-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridecan-5-yl]propanoylamino]benzoate

Structure

SMILES: COC(=O)C1=CC=C(O)C(N=C(O)CC[C@]2(C)C(=O)C[C@@H](O)[C@]34CC5C[C@H](O[C@@]5(C)C3)C42)=C1O

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InChI: InChI=1S/C25H31NO8/c1-23(7-6-18(30)26-19-14(27)5-4-13(20(19)31)22(32)33-3)16(28)9-17(29)25-10-12-8-15(21(23)25)34-24(12,2)11-25/h4-5,12,15,17,21,27,29,31H,6-11H2,1-3H3,(H,26,30)/t12?,15-,17+,21?,23+,24-,25-/m0/s1

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InChIKey: VGVPNVYKDNAHLX-RJCXQJAVSA-N

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Source

Properties Information

Molecule Weight: 473.5220000000003

TPSA: 145.88

MolLogP: 3.1664000000000025

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information