Phenolbetain
AlkaPlorer ID: AK120627
Synonym: None
IUPAC Name: None
Structure
SMILES: COC1=C(OC)C2=C[NH+](C)CCC2=CC1=O
InChI: InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(14)12(16-3)11(15-2)9(8)7-13/h6-7H,4-5H2,1-3H3/p+1
InChIKey: FBTVHOVKCOJXHO-UHFFFAOYSA-O
Reference
Two new alkaloids and active anti-hepatitis B virus constituents from Hypserpa nitida
PubChem CID: 44433884
LOTUS: LTS0170372
NPASS: NPC312419
COCONUT: CNP0444048
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 222.26399999999995
TPSA？: 39.97
MolLogP？: -0.1978000000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 2367000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 4525000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2181000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmcl.2007.08.027 |