Frangulanine; N-De-Me
AlkaPlorer ID: AK298649
Synonym: Hovenine A, N-Demethylfrangulanine
IUPAC Name: 3-methyl-2-(methylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Structure
SMILES: CCC(C)C(NC)C(O)=NC1C(O)=NC(CC(C)C)C(O)=NC=CC2=CC=C(C=C2)OC1C(C)C
InChI: InChI=1S/C27H42N4O4/c1-8-18(6)22(28-7)26(33)31-23-24(17(4)5)35-20-11-9-19(10-12-20)13-14-29-25(32)21(15-16(2)3)30-27(23)34/h9-14,16-18,21-24,28H,8,15H2,1-7H3,(H,29,32)(H,30,34)(H,31,33)
InChIKey: ARFZEJYVBXGWDN-UHFFFAOYSA-N
Reference
New peptide alkaloids from Hovenia dulcis and H. tomentella
PubChem CID: 78385035
LOTUS: LTS0068960
COCONUT: CNP0168420.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tomentella | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Hovenia dulcis | Hovenia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 486.6570000000002
TPSA？: 119.03
MolLogP？: 5.361200000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|