Molecule

Aspochalamin D

AlkaPlorer ID: AK054602

Synonym: None

IUPAC Name: N-[(2R)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxopropan-2-yl]-2-[[(1S,9Z,11S,14S,15R,16S)-9,13,14-trimethyl-16-(2-methylpropyl)-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-4-yl]amino]benzamide

Structure

SMILES: CC1=C[C@@H]2/C=C(/C)CCCCC(NC3=CC=CC=C3C(=O)N[C@H](C)C(=O)N/C=C/C3=CNC4=CC=CC=C34)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C

InChI: InChI=1S/C44H55N5O4/c1-26(2)21-38-40-29(5)28(4)23-32-22-27(3)13-7-8-14-33(24-39(50)44(32,40)43(53)49-38)48-37-18-12-10-16-35(37)42(52)47-30(6)41(51)45-20-19-31-25-46-36-17-11-9-15-34(31)36/h9-12,15-20,22-23,25-26,29-30,32-33,38,40,46,48H,7-8,13-14,21,24H2,1-6H3,(H,45,51)(H,47,52)(H,49,53)/b20-19+,27-22-/t29-,30-,32+,33?,38+,40+,44-/m1/s1

InChIKey: PCJFHYLIYGCNOL-PTWPLCFUSA-N

Reference

Aspochalamins A-D and Aspochalasin Z Produced by the Endosymbiotic Fungus Aspergillus niveus LU 9575: I. Taxonomy, Fermentation, Isolation and Biological Activities

PubChem CID: 101363438

LOTUS: LTS0262835

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NPAtlas: NPA019294

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Niveus	Allogromiidae	None	None	Foraminifera	None	Eukaryota

Properties Information

Molecule Weight: 717.9549999999999

TPSA？: 132.19

MolLogP？: 7.692600000000007

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi