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Tryptoquivaline; 27-Epimer

AlkaPlorer ID: AK316823

Synonym: 27-Epitryptoquivaline, CS-C

IUPAC Name: [1-[3-(3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl)-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate

Structure

SMILES: CC(=O)OC(C1=NC2=CC=CC=C2C(=O)N1C1CC2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)(C)N(O)C12)C(C)C

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InChI: InChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3

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InChIKey: CYNVLFGDEQQUPE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cladosporium sp. Cladosporium Cladosporiaceae Cladosporiales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 546.5800000000003

TPSA？: 131.27

MolLogP？: 3.1963000000000017

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 5171.4 nM None
Homo sapiens DNA polymerase eta Potency 70794.6 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 35481.3 nM None
Homo sapiens G-protein coupled receptor 55 EC50 7346.47 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 28183.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2078.7 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 17782.8 nM None
None Unchecked Potency 354.8 nM None

Metabolism Information