Phlegmariurine C

AlkaPlorer ID: AK310195

Synonym: None

IUPAC Name: 6-methyl-3-(6-methyl-2,8-dioxo-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-en-3-yl)-9-azatricyclo[7.4.3.04,13]hexadec-4(13)-ene-2,8-dione

Structure

SMILES: CC1CC(=O)N2CCCC3=C(C1)C(C1C(=O)C4CCCN5CCCC4=C1CC(C)CC5=O)C(=O)C3CCC2

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InChI: InChI=1S/C32H44N2O4/c1-19-15-25-21-7-3-11-33(27(35)17-19)13-5-9-23(21)31(37)29(25)30-26-16-20(2)18-28(36)34-12-4-8-22(26)24(32(30)38)10-6-14-34/h19-20,23-24,29-30H,3-18H2,1-2H3

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InChIKey: MJIROACEKGJSGD-UHFFFAOYSA-N

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Reference

PubChem CID: 163967

CAS: 115491-58-2

COCONUT: CNP0206895.2

Source

Properties Information

Molecule Weight: 520.7140000000005

TPSA: 74.76

MolLogP: 4.874800000000005

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information