Discarine C
AlkaPlorer ID: AK296815
Synonym: None
IUPAC Name: 2-(dimethylamino)-4-methyl-N-[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]pentanamide
Structure
SMILES: CC(C)CC1N=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/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(23-10-8-7-9-11-23)27(31(38)33-25)34-30(37)26(35(5)6)19-21(3)4/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)
InChIKey: ZKTFRIXUYOZICW-UHFFFAOYSA-N
Reference
Cyclic peptide alkaloids from the bark of Discaria americana
PubChem CID: 162979184
LOTUS: LTS0024361
COCONUT: CNP0251249.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Discaria americana | Discaria | Rhamnaceae | 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 |
|---|