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Lamellarin D

AlkaPlorer ID: AK042658

Synonym: None

IUPAC Name: 7,17-dihydroxy-12-(4-hydroxy-3-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(C2=C3C4=CC(OC)=C(O)C=C4C=CN3C3=C2C2=CC(OC)=C(O)C=C2OC3=O)=CC=C1O

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InChI: InChI=1S/C28H21NO8/c1-34-21-9-14(4-5-17(21)30)24-25-16-11-23(36-3)19(32)12-20(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

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InChIKey: ATHLLZUXVPNPAW-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

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
Bos taurus DNA topoisomerase Inhibition nan % 10.1016/j.ejmech.2014.08.038
Bos taurus DNA topoisomerase I Inhibition nan % 10.1016/j.bmc.2018.11.037
Canis lupus familiaris MDCK Activity nan None 10.1021/np0104525
Canis lupus familiaris MDCK IC50 22.5 nM 10.1021/np0104525
Chlorocebus sabaeus Vero IC50 10.5 nM 10.1021/np0104525
Homo sapiens A549 GI50 200.0 nM 10.1021/jm0602458
Homo sapiens A549 IC50 4.0 nM 10.1016/j.ejmech.2021.113226
Homo sapiens A549 IC50 60.0 nM 10.1039/C1MD00003A
Homo sapiens ACHN GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens CCRF-CEM IC50 5.0 nM 10.1021/jm049060w
Homo sapiens CCRF-CEM IC50 14.0 nM 10.1016/j.ejmech.2022.114304
Homo sapiens CCRF-CEM IC50 15000.0 nM 10.1016/j.ejmech.2012.01.040
Homo sapiens CCRF-CEM RRI 144.0 None 10.1021/jm049060w
Homo sapiens DNA topoisomerase I Activity nan None 10.1016/j.bmc.2011.06.056
Homo sapiens DNA topoisomerase I Inhibition 21.0 % 10.1016/j.ejmech.2012.01.040
Homo sapiens DNA topoisomerase I Inhibition 22.0 % 10.1016/j.ejmech.2012.01.040
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.ejmech.2021.113226
Homo sapiens DU-145 GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens H69AR IC50 400.0 nM 10.1039/C1MD00003A
Homo sapiens HCT-116 GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens HCT-116 IC50 25.0 nM 10.1016/j.ejmech.2021.113226
Homo sapiens HeLa IC50 10.5 nM 10.1021/np0104525
Homo sapiens HeLa IC50 60.0 nM 10.1039/C1MD00003A
Homo sapiens HepG2 GI50 90.0 nM 10.1016/j.ejmech.2014.08.038
Homo sapiens HepG2 IC50 20.0 nM 10.1039/C1MD00003A
Homo sapiens HepG2 IC50 88.0 nM 10.1016/j.ejmech.2021.113226
Homo sapiens HGC-27 IC50 236.0 nM 10.1016/j.ejmech.2021.113226
Homo sapiens HL-60 IC50 40.0 nM 10.1039/C1MD00003A
Homo sapiens HT-29 GI50 4470.0 nM 10.1016/j.ejmech.2014.08.038
Homo sapiens HT-29 GI50 5100.0 nM 10.1021/jm0602458
Homo sapiens K562 GI50 80.0 nM 10.1016/j.ejmech.2014.08.038
Homo sapiens KB IC50 40.0 nM 10.1039/C1MD00003A
Homo sapiens LOX IMVI GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens MCF7 GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.ejmech.2021.113226
Homo sapiens MDA-MB-231 GI50 250.0 nM 10.1021/jm0602458
Homo sapiens MDA-MB-231 GI50 320.0 nM 10.1016/j.ejmech.2014.08.038
Homo sapiens MDA-MB-231 IC50 31.0 nM 10.1016/j.ejmech.2021.113226
Homo sapiens MDA-MB-231 IC50 400.0 nM 10.1039/C1MD00003A
Homo sapiens MKN-28 GI50 50.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens MRC5 IC50 9200.0 nM 10.1039/C1MD00003A
Homo sapiens NCI-H460 IC50 3.0 nM 10.1016/j.bmc.2011.06.056
Homo sapiens NCI-H460 IC50 66.0 nM 10.1016/j.bmc.2011.06.056
Homo sapiens NCI-H522 GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens SK-OV-3 GI50 38.0 nM 10.1016/j.bmc.2018.11.037
Homo sapiens T47D IC50 0.08 nM 10.1016/j.ejmech.2020.113034
Homo sapiens T47D IC50 0.08 nM 10.1039/C1MD00003A
Homo sapiens U-251 GI50 10.0 nM 10.1016/j.bmc.2018.11.037
Mus musculus P388 IC50 100.0 nM 10.1039/C1MD00003A
Mus musculus P388 IC50 136.0 nM 10.1016/j.ejmech.2022.114304
Rattus norvegicus XC IC50 12.4 nM 10.1021/np0104525
None NON-PROTEIN TARGET IC50 49.0 nM 10.1039/C1MD00003A
None NON-PROTEIN TARGET IC50 80.0 nM 10.1039/C1MD00003A
None NON-PROTEIN TARGET IC50 720.0 nM 10.1021/jm049060w
None NON-PROTEIN TARGET IC50 3200.0 nM 10.1039/C1MD00003A
None No relevant target Solubility 0.56 nM 10.1016/j.ejmech.2021.113226
None Unchecked IC50 3200.0 nM 10.1016/j.ejmech.2020.113034
None Unchecked Inhibition nan % 10.1021/jm400719y

Metabolism Information