Spindomycin A

AlkaPlorer ID: AK042685

Synonym: None

IUPAC Name: (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione

Structure

SMILES: C[C@@H]1[C@@H](O)C(=O)C2=C(CCC2)[C@]12C(=O)N(C)C1=CC=CC=C12

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InChI: InChI=1S/C18H19NO3/c1-10-15(20)16(21)11-6-5-8-12(11)18(10)13-7-3-4-9-14(13)19(2)17(18)22/h3-4,7,9-10,15,20H,5-6,8H2,1-2H3/t10-,15-,18-/m1/s1

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InChIKey: XYZWUTVMGFJRHN-QEIWDELWSA-N

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Properties Information

Molecule Weight: 297.354

TPSA: 57.61

MolLogP: 1.961

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 Inhibition 10.0 % 10.1016/j.bmcl.2014.09.026
Homo sapiens HepG2 Inhibition 10.0 % 10.1016/j.bmcl.2014.09.026
Homo sapiens L-lactate dehydrogenase Inhibition nan % 10.1016/j.bmcl.2014.09.026
Homo sapiens MCF7 Inhibition 10.0 % 10.1016/j.bmcl.2014.09.026
None NON-PROTEIN TARGET Inhibition 10.0 % 10.1016/j.bmcl.2014.09.026
None No relevant target Rf 0.8 None 10.1016/j.bmcl.2014.09.026
None Unchecked Inhibition nan % 10.1016/j.bmcl.2014.09.026

Metabolism Information