Molecule

(14aR)-2-(2-methoxyacetyl)-10-(2-methyl-1,2,4-triazol-3-yl)-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one

AlkaPlorer ID: AK587341

Synonym: None

IUPAC Name: (14aR)-2-(2-methoxyacetyl)-10-(2-methyl-1,2,4-triazol-3-yl)-3,4,6,8,14,14a-hexahydro-1H-pyrazino[2,1-c][1,4,7]benzoxadiazonin-7-one

Structure

SMILES: COCC(=O)N1CCN2CC(=O)NC3=CC(C4=NC=NN4C)=CC=C3OC[C@H]2C1

InChI: InChI=1S/C19H24N6O4/c1-23-19(20-12-21-23)13-3-4-16-15(7-13)22-17(26)9-24-5-6-25(18(27)11-28-2)8-14(24)10-29-16/h3-4,7,12,14H,5-6,8-11H2,1-2H3,(H,22,26)/t14-/m1/s1

InChIKey: YYCNFTDHNSQHSE-CQSZACIVSA-N

Reference

Dysiherbols A–C and Dysideanone E, Cytotoxic and NF-κB Inhibitory Tetracyclic Meroterpenes from a <i>Dysidea</i> sp. Marine Sponge

PubChem CID: 138990286

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 400.4390000000002

TPSA？: 101.82

MolLogP？: -0.027799999999998

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi