Asperglaucide
AlkaPlorer ID: AK006782
Synonym: None
IUPAC Name: [(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
Structure
SMILES: CC(=O)OC[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1
InChI: InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25-/m0/s1
InChIKey: VZPAURMDJZOGHU-DQEYMECFSA-N
Reference
Heliangolides from Viguiera sylvatica
PubChem CID: 10026486
LOTUS: LTS0004100
SuperNatural Ⅲ: SN0404375-02
NPASS: NPC60548
{NPAtlas: NPA005432
Source
Properties Information
Molecule Weight: 444.5310000000001
TPSA？: 91.48
MolLogP？: 4.733400000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 11160.0 | nM | 10.1016/j.ejmech.2017.12.042 |
| Hepatitis B virus | Hepatitis B virus | Inhibition | 60.61 | % | 10.1016/j.ejmech.2017.12.042 |
| Homo sapiens | HepG2 2.2.15 | CC50 | 100000.0 | nM | 10.1016/j.ejmech.2017.12.042 |
| Homo sapiens | N9 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.12.075 |