Chartrenoline

AlkaPlorer ID: AK326827

Synonym: None

IUPAC Name: 4-[(1S,7R,10S,13S,14S)-14-hydroxy-10-methyl-3-oxo-2,8-dioxa-4,9-diazatetracyclo[9.2.1.04,13.07,12]tetradec-11-en-9-yl]benzoic acid

Structure

SMILES: C[C@H]1C2=C3[C@@H](CCN4C(=O)O[C@H]([C@H]2O)[C@H]34)ON1C1=CC=C(C(=O)O)C=C1

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InChI: InChI=1S/C18H18N2O6/c1-8-12-13-11(6-7-19-14(13)16(15(12)21)25-18(19)24)26-20(8)10-4-2-9(3-5-10)17(22)23/h2-5,8,11,14-16,21H,6-7H2,1H3,(H,22,23)/t8-,11+,14-,15-,16-/m0/s1

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InChIKey: HFOOBTGMIDQUPB-HPNFRWIHSA-N

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Properties Information

Molecule Weight: 358.3500000000001

TPSA: 99.54

MolLogP: 1.1577000000000002

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information