Ostreogrycin B; 5pip-Hydroxy 

AlkaPlorer ID: AK308791

Synonym: Ostreogrycin B3, Ostreogricin Z3, E 129Z3, Antibiotic E 129Z3 

IUPAC Name: N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide

Structure

SMILES: CCC1N=C(O)C(N=C(O)C2=NC=CC=C2O)C(C)OC(=O)C(C2=CC=CC=C2)N=C(O)C2CC(=O)C(O)CN2C(=O)C(CC2=CC=C(N(C)C)C=C2)N(C)C(=O)C2CCCN2C1=O

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InChI: InChI=1S/C45H54N8O11/c1-6-29-42(60)52-21-11-14-30(52)43(61)51(5)32(22-26-16-18-28(19-17-26)50(3)4)44(62)53-24-35(56)34(55)23-31(53)39(57)49-37(27-12-8-7-9-13-27)45(63)64-25(2)36(40(58)47-29)48-41(59)38-33(54)15-10-20-46-38/h7-10,12-13,15-20,25,29-32,35-37,54,56H,6,11,14,21-24H2,1-5H3,(H,47,58)(H,48,59)(H,49,57)

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InChIKey: POKJDADRNGWFHI-UHFFFAOYSA-N

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Reference

PubChem CID: 10463393

COCONUT: CNP0278152.1

Properties Information

Molecule Weight: 882.9719999999996

TPSA: 258.66

MolLogP: 2.496200000000002

Number of H-Donors: 5

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information