Phenazinolin E

AlkaPlorer ID: AK010730

Synonym: 'Phenazinolin'

IUPAC Name: (1S,17S,29R)-9,24,29-trihydroxy-16-oxa-4,11,19,26-tetrazaheptacyclo[15.11.1.02,15.03,12.05,10.018,27.020,25]nonacosa-2(15),3,5(10),6,8,11,13,18,20(25),21,23,26-dodecaene-13-carboxylic acid

Structure

SMILES: O=C(O)C1=CC2=C(C3=C1N=C1C(=CC=CC1=O)N3)[C@@H]1CC3=C(NC4=CC=CC(=O)C4=N3)[C@H](O2)[C@@H]1O

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InChI: InChI=1S/C25H16N4O6/c30-14-5-1-3-11-19(14)28-13-7-9-17-16(35-24(23(9)32)21(13)26-11)8-10(25(33)34)18-22(17)27-12-4-2-6-15(31)20(12)29-18/h1-6,8-9,23-24,26-27,32H,7H2,(H,33,34)/t9-,23+,24-/m0/s1

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InChIKey: ODUAQNULSMVXAH-DAYDZAPOSA-N

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Properties Information

Molecule Weight: 468.4250000000002

TPSA: 158.25999999999993

MolLogP: 2.0485

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information