Broussonetine U1
AlkaPlorer ID: AK027958
Synonym: '(-)-Broussonetine U1'
IUPAC Name: 13-[(2S,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrol-5-yl]-1-hydroxytridecan-4-one
Structure
SMILES: O=C(CCCO)CCCCCCCCCC1=N[C@@H](CO)[C@H](O)[C@H]1O
InChI: InChI=1S/C18H33NO5/c20-12-8-10-14(22)9-6-4-2-1-3-5-7-11-15-17(23)18(24)16(13-21)19-15/h16-18,20-21,23-24H,1-13H2/t16-,17-,18-/m0/s1
InChIKey: CMHLWFDIUYEHTJ-BZSNNMDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Broussonetia papyrifera | Broussonetia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.464
TPSA？: 110.35
MolLogP？: 1.3761999999999996
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|