Apicularen A

AlkaPlorer ID: AK288966

Synonym: None

IUPAC Name: (2Z,4Z)-N-[(E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]hepta-2,4-dienamide

Structure

SMILES: CC/C=C\C=C/C(O)=N/C=C/CC1CC2CC(O)CC(CC3=CC=CC(O)=C3C(=O)O1)O2

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InChI: InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7+

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InChIKey: MVOORUCGKRDJFW-UYSGNFFCSA-N

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Properties Information

Molecule Weight: 441.5240000000002

TPSA: 108.58

MolLogP: 4.155000000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information