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name Structure Reference Source Properties Activities Metabolism

(3S,4R,4'S,4''R,6S,6''S,9R,9''R,9aS,9''aS)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]-4,4''-diol

AlkaPlorer ID: AK018643

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1CC[C@@H](C2=COC=C2)N2[C@H]1CC[C@@]1(CS[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](C5=COC=C5)N4[C@@H]3O)C1)[C@H]2O

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InChI: InChI=1S/C30H42N2O4S/c1-19-3-5-25(21-9-13-35-15-21)31-23(19)7-11-29(27(31)33)17-30(37-18-29)12-8-24-20(2)4-6-26(32(24)28(30)34)22-10-14-36-16-22/h9-10,13-16,19-20,23-28,33-34H,3-8,11-12,17-18H2,1-2H3/t19-,20-,23+,24+,25+,26+,27-,28-,29-,30+/m1/s1

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InChIKey: DYEOLAMWQVWASS-XKCSGWQSSA-N

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Reference

PubChem CID: 15816477

SuperNatural Ⅲ: SN0078654-11

NPASS: NPC297647

data_source: manually

Properties Information

Molecule Weight: 526.7430000000004

TPSA？: 73.22000000000001

MolLogP？: 5.942500000000009

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacteria DNA Activity nan None 10.1016/j.bmcl.2019.06.003
Blastomyces dermatitidis Blastomyces dermatitidis Activity 100.0 ug ml-1 10.1016/j.ejmech.2021.113659
Enterococcus Enterococcus MIC 2.0 ug.mL-1 10.1016/j.ejmech.2021.113659
Histoplasma capsulatum Histoplasma capsulatum Activity 100.0 ug ml-1 10.1016/j.ejmech.2021.113659
Homo sapiens DNA topoisomerase II alpha Activity nan None 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II alpha FC 8.0 None 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II alpha Inhibition 100.0 % 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II alpha T1/2 0.003056 hr 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II alpha T1/2 0.008333 hr 10.1016/j.bmcl.2019.06.003
Homo sapiens DNA topoisomerase II beta FC 3.0 None 10.1016/j.bmcl.2019.06.003
Homo sapiens HT-1080 Inhibition -0.9 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 0.1 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 0.5 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 9.0 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 19.3 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 75.0 % 10.1016/j.bmcl.2005.12.032
Homo sapiens HT-1080 Inhibition 75.3 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 IC50 5000.0 nM 10.1016/j.ejmech.2021.113659
Homo sapiens U-937 Inhibition 1.3 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 Inhibition 2.3 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 Inhibition 5.3 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 Inhibition 54.7 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 Inhibition 80.0 % 10.1016/j.bmcl.2005.12.032
Homo sapiens U-937 Inhibition 81.6 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16 IC50 87.0 nM 10.1016/j.ejmech.2021.113659
Mus musculus B16 Inhibition 40.3 % 10.1016/j.bmcl.2003.09.019
Mus musculus B16 Inhibition 43.1 % 10.1016/j.bmcl.2003.09.019
Mus musculus B16 Inhibition 68.5 % 10.1016/j.bmcl.2003.09.019
Mus musculus B16 Inhibition 83.2 % 10.1016/j.bmcl.2003.09.019
Mus musculus B16 Inhibition 86.6 % 10.1016/j.bmcl.2003.09.019
Mus musculus B16-F10 Inhibition -15.0 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition -8.0 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition -6.0 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition -3.5 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition 16.6 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition 51.8 % 10.1016/j.bmcl.2005.12.032
Mus musculus B16-F10 Inhibition 54.8 % 10.1016/j.bmcl.2005.12.032
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.ejmech.2021.113659
None Unchecked Activity nan None 10.1016/j.bmcl.2019.06.003

Metabolism Information