Oxyphylline D

AlkaPlorer ID: AK264136

Synonym: None

IUPAC Name: 6-[2-(dimethylamino)-3-phenylpropanoyl]-19-methoxy-2-oxa-6,9,15-triazatetracyclo[16.3.1.03,7.09,13]docosa-1(22),16,18,20-tetraene-8,14-dione

Structure

SMILES: COC1=CC=C2C=C1C=CNC(=O)C1CCCN1C(=O)C1C(CCN1C(=O)C(CC1=CC=CC=C1)N(C)C)O2

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InChI: InChI=1S/C30H36N4O5/c1-32(2)24(18-20-8-5-4-6-9-20)29(36)34-17-14-26-27(34)30(37)33-16-7-10-23(33)28(35)31-15-13-21-19-22(39-26)11-12-25(21)38-3/h4-6,8-9,11-13,15,19,23-24,26-27H,7,10,14,16-18H2,1-3H3,(H,31,35)

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InChIKey: FEDDYAGPDMYTOJ-UHFFFAOYSA-N

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Reference

PubChem CID: 163009575

COCONUT: CNP0284528

Source

Properties Information

Molecule Weight: 532.6410000000003

TPSA: 91.42

MolLogP: 2.3079

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information