Discarene C
AlkaPlorer ID: AK070416
Synonym: ''
IUPAC Name: (E)-4-methyl-N-[(3R,4R,7R,10E)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide
Structure
SMILES: CC(C)/C=C/C(O)=N[C@H]1C(O)=N[C@H](CC(C)C)C(O)=N/C=C/C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1
InChI: InChI=1S/C29H35N3O4/c1-19(2)10-15-25(33)32-26-27(22-8-6-5-7-9-22)36-23-13-11-21(12-14-23)16-17-30-28(34)24(18-20(3)4)31-29(26)35/h5-17,19-20,24,26-27H,18H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)/b15-10+,17-16+/t24-,26-,27-/m1/s1
InChIKey: BCKFBSQASKVSKD-QBPBQUHBSA-N
Reference
Cyclopeptides from the Bark of <i>Discaria </i><i>a</i><i>mericana</i>
PubChem CID: 162954205
LOTUS: LTS0145677
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 489.61600000000016
TPSA？: 107.0
MolLogP？: 6.656000000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|