189083-78-1
AlkaPlorer ID: AK051661
Synonym: None
IUPAC Name: 7-hydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-3-one
Structure
SMILES: COC1=CC=C(C2=C3C4=CC(OC)=C(OC)C(OC)=C4CCN3C3=C2C2=CC(OC)=C(O)C=C2OC3=O)C=C1O
InChI: InChI=1S/C30H27NO9/c1-35-20-7-6-14(10-18(20)32)24-25-17-12-22(36-2)19(33)13-21(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-7,10-13,32-33H,8-9H2,1-5H3
InChIKey: NKDLSUHQYRACEX-UHFFFAOYSA-N
Reference
Lamellarin α 20-Sulfate, an Inhibitor of HIV-1 Integrase Active against HIV-1 Virus in Cell Culture
PubChem CID: 5481589
CAS: 189083-78-1
LOTUS: LTS0178883
SuperNatural Ⅲ: SN0247769
COCONUT: CNP0270144
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellaria latens | Lamellaria | Velutinidae | Littorinimorpha | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 545.5440000000004
TPSA？: 121.75
MolLogP？: 5.092000000000006
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | LD50 | 27.0 | uM | 10.1021/jm9806650 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | nan | nM | 10.1021/jm9806650 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 18000.0 | nM | 10.1021/jm9806650 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 24000.0 | nM | 10.1021/jm9806650 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 27000.0 | nM | 10.1021/jm9806650 |
| Molluscum contagiosum virus | Molluscum contagiosum virus | Inhibition | nan | % | 10.1021/jm9806650 |