Grossamide; 4'-Deoxy, 5'-hydroxy

AlkaPlorer ID: AK299674

Synonym: Thoreliamide A

IUPAC Name: None

Structure

SMILES: COC1=CC(O)=CC(C2OC3=C(OC)C=C(/C=C/C(=O)NCCC4=CC=C(O)C=C4)C=C3C2C(=O)NCCC2=CC=C(O)C=C2)=C1

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InChI: InChI=1S/C36H36N2O8/c1-44-29-20-25(19-28(41)21-29)34-33(36(43)38-16-14-23-5-10-27(40)11-6-23)30-17-24(18-31(45-2)35(30)46-34)7-12-32(42)37-15-13-22-3-8-26(39)9-4-22/h3-12,17-21,33-34,39-41H,13-16H2,1-2H3,(H,37,42)(H,38,43)/b12-7+

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InChIKey: BPTUEFHHKWWGMV-KPKJPENVSA-N

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Reference

CAS: 1052115-05-5

Source

Properties Information

Molecule Weight: 624.6900000000003

TPSA: 146.58

MolLogP: 4.768900000000004

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information