Argyrins; Argyrin A, 4''-Demethoxy

AlkaPlorer ID: AK289242

Synonym: Argyrin E

IUPAC Name: 4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

Structure

SMILES: C=C1NC(=O)C(C)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C2=CSC(=N2)C(C)NC(=O)CN(C)C1=O

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InChI: InChI=1S/C39H42N10O7S/c1-20-34(52)45-22(3)39(56)49(4)18-33(51)44-21(2)38-48-31(19-57-38)37(55)47-30(14-24-16-41-28-12-8-6-10-26(24)28)36(54)46-29(35(53)42-17-32(50)43-20)13-23-15-40-27-11-7-5-9-25(23)27/h5-12,15-16,19-21,29-30,40-41H,3,13-14,17-18H2,1-2,4H3,(H,42,53)(H,43,50)(H,44,51)(H,45,52)(H,46,54)(H,47,55)

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InChIKey: FXVXIHHRNOTRSR-UHFFFAOYSA-N

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Reference

PubChem CID: 10033260

CAS: 444300-73-6

COCONUT: CNP0185098.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Archangium gephyra Archangium Archangiaceae Myxococcales Myxococcia Myxococcota None Bacteria

Properties Information

Molecule Weight: 794.8949999999998

TPSA: 239.38

MolLogP: 1.074300000000005

Number of H-Donors: 8

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information