Crenatine A
AlkaPlorer ID: AK039977
Synonym: '', 'Crenatine A'
IUPAC Name: (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-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: CC(C)C[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=N/C=C\C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1
InChIKey: NAMLDTWANUOXLT-GQIVPORTSA-N
Reference
A new peptide alkaloid from Discaria crenata
PubChem CID: 5281586
CAS: 52801-20-4
LOTUS: LTS0117604
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria chacaye | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.7180000000001
TPSA？: 110.24
MolLogP？: 6.616700000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|