Navigation

name Structure Reference Source Properties Activities Metabolism

149379-26-0

AlkaPlorer ID: AK053983

Synonym: None

IUPAC Name: 7,17-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16-dimethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one

Structure

SMILES: COC1=CC=C(C2=C3C4=CC(OC)=C(O)C=C4C=CN3C3=C2C2=CC(OC)=C(O)C=C2OC3=O)C=C1O

copy

InChI: InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3

copy

InChIKey: POCZBHBFCIWCCV-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Lamellaria latens Lamellaria Velutinidae Littorinimorpha Gastropoda Mollusca Metazoa Eukaryota

Properties Information

Molecule Weight: 499.4750000000003

TPSA？: 123.0

MolLogP？: 5.161700000000006

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 40.0 nM 10.1039/C1MD00003A
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 25.0 nM 10.1021/jm400719y
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 35.0 nM 10.1021/jm400719y
Homo sapiens Epidermal growth factor receptor erbB1 IC50 1000.0 nM 10.1016/j.bmc.2017.10.030
Homo sapiens H69AR IC50 60.0 nM 10.1039/C1MD00003A
Homo sapiens HeLa IC50 32.0 nM 10.1021/jm400719y
Homo sapiens HeLa IC50 40.0 nM 10.1039/C1MD00003A
Homo sapiens HeLa LD50 5.0 uM 10.1021/jm9806650
Homo sapiens HepG2 IC50 20.0 nM 10.1039/C1MD00003A
Homo sapiens HL-60 IC50 40.0 nM 10.1039/C1MD00003A
Homo sapiens IMR-32 IC50 19.0 nM 10.1021/jm400719y
Homo sapiens KB IC50 60.0 nM 10.1039/C1MD00003A
Homo sapiens MDA-MB-231 IC50 600.0 nM 10.1039/C1MD00003A
Homo sapiens MRC5 IC50 100100.0 nM 10.1039/C1MD00003A
Homo sapiens Serine/threonine-protein kinase PIM1 IC50 55.0 nM 10.1021/jm400719y
Homo sapiens T47D IC50 0.6 nM 10.1039/C1MD00003A
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 1000.0 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 19000.0 nM 10.1021/jm9806650
Molluscum contagiosum virus Molluscum contagiosum virus Inhibition nan % 10.1021/jm9806650
Mus musculus P388 IC50 80.0 nM 10.1039/C1MD00003A
Sus scrofa Glycogen synthase kinase-3 IC50 5.0 nM 10.1021/jm400719y
None NON-PROTEIN TARGET IC50 8.0 nM 10.1039/C1MD00003A
None NON-PROTEIN TARGET IC50 40.0 nM 10.1021/jm400719y
None NON-PROTEIN TARGET IC50 2300.0 nM 10.1039/C1MD00003A
None Unchecked IC50 70.0 nM 10.1021/jm400719y
None Unchecked IC50 8000.0 nM 10.1016/j.ejmech.2020.113034
None Unchecked IC50 10000.0 nM 10.1021/jm400719y
None Unchecked Inhibition nan % 10.1021/jm400719y

Metabolism Information