(14aR)-2-(3,3-dimethylbutanoyl)-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: AK584723
Synonym: None
IUPAC Name: (14aR)-2-(3,3-dimethylbutanoyl)-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: CN1N=CN=C1C1=CC=C2OC[C@H]3CN(C(=O)CC(C)(C)C)CCN3CC(=O)NC2=C1
InChI: InChI=1S/C22H30N6O3/c1-22(2,3)10-20(30)28-8-7-27-12-19(29)25-17-9-15(21-23-14-24-26(21)4)5-6-18(17)31-13-16(27)11-28/h5-6,9,14,16H,7-8,10-13H2,1-4H3,(H,25,29)/t16-/m1/s1
InChIKey: YRUNAHKLXMQORH-MRXNPFEDSA-N
Reference
Bioactive Phenolic Components from the Twigs of <i>Atalantia buxifolia</i>
PubChem CID: 138990289
Source
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Properties Information
Molecule Weight: 426.5210000000002
TPSA？: 92.59
MolLogP？: 1.7619999999999998
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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