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Metatacarboline F

AlkaPlorer ID: AK070661

Synonym: None

IUPAC Name: (2S)-1-[3-[3-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid

Structure

SMILES: CC(C)[C@H](NC(=O)C1=CC2=C(NC3=CC=CC=C32)C(CCC(=O)N2CCC[C@H]2C(=O)O)=N1)C(=O)O

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InChI: InChI=1S/C25H28N4O6/c1-13(2)21(25(34)35)28-23(31)18-12-15-14-6-3-4-7-16(14)27-22(15)17(26-18)9-10-20(30)29-11-5-8-19(29)24(32)33/h3-4,6-7,12-13,19,21,27H,5,8-11H2,1-2H3,(H,28,31)(H,32,33)(H,34,35)/t19-,21-/m0/s1

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InChIKey: VDVKKTJHKSSCRY-FPOVZHCZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mycena metata Mycena Mycenaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 480.5210000000004

TPSA？: 152.69

MolLogP？: 2.5632999999999995

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus C6 Activity 18.3 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Activity 22.8 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Activity 23.9 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Activity 24.4 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Activity nan None 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 IC50 250000.0 nM 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Inhibition 15.0 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Inhibition 35.0 % 10.1016/j.ejmech.2016.02.033
Rattus norvegicus C6 Inhibition 55.0 % 10.1016/j.ejmech.2016.02.033
None No relevant target solubility nan None 10.1016/j.ejmech.2016.02.033

Metabolism Information