Myrianthine A
AlkaPlorer ID: AK307186
Synonym: 2-(Dimethylamino)-4-methyl-N-[7-(1-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]pentanamide
IUPAC Name: N-(7-butan-2-yl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CCC(C)C1N=C(O)C(N=C(O)C(CC(C)C)N(C)C)C(C2=CC=CC=C2)OC2=CC=C(C=CN=C1O)C=C2
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(23-11-9-8-10-12-23)27(31(38)33-26)34-29(36)25(35(5)6)19-20(2)3/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)
InChIKey: FMWVLOOFBWURQV-UHFFFAOYSA-N
Reference
Cyclopeptides from the Bark of <i>Discaria </i><i>a</i><i>mericana</i>
PubChem CID: 162976494
LOTUS: LTS0110668
COCONUT: CNP0248383.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Myrianthus arboreus | Myrianthus | Urticaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000002
TPSA？: 110.24
MolLogP？: 6.420100000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|