Broussonetine B
AlkaPlorer ID: AK041185
Synonym: ''
IUPAC Name: 1-hydroxy-13-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-5-one
Structure
SMILES: O=C(CCCCO)CCCCCCCC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C24H45NO10/c26-12-8-7-10-15(29)9-5-3-1-2-4-6-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
InChIKey: XRCYKIVYVCRJAM-BMSKXHDZSA-N
Reference
Polyhydroxylated Alkaloids with Lipophilic Moieties as Glycosidase Inhibitors from Higher Plants
PubChem CID: 10074961
LOTUS: LTS0091177
SuperNatural Ⅲ: SN0437824-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Broussonetia papyrifera | Broussonetia | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 507.62100000000015
TPSA？: 189.17
MolLogP？: -1.282399999999996
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 10000.0 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 17782.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 1412.5 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |