Fellutanine A

AlkaPlorer ID: AK029176

Synonym: None

IUPAC Name: (3S,6R)-3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione

Structure

SMILES: OC1=N[C@H](CC2=CNC3=CC=CC=C23)C(O)=N[C@H]1CC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20+

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InChIKey: DNHODRZUCGXYKU-BGYRXZFFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium fellutanum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 372.4280000000001

TPSA: 96.76

MolLogP: 4.098200000000002

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005302 CC(C)=CCOP(=O)(O)OP(=O)(O)O.O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]c2ccccc12>>CC(C)=CCc1cccc2c(C[C@H]3NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC3=O)c[nH]c12 enzymemap_39874