Aspochalamin A; 17,18-Dideoxy
AlkaPlorer ID: AK289587
Synonym: Aspochalamin D
IUPAC Name: N-[1-[2-(1H-indol-3-yl)ethenylamino]-1-oxopropan-2-yl]-2-[[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=CC2C=C(C)C(C)C3C(CC(C)C)N=C(O)C23C(=O)CC(NC2=CC=CC=C2C(O)=NC(C)C(O)=NC=CC2=CNC3=CC=CC=C23)CCCC1
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)
InChIKey: PCJFHYLIYGCNOL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus niveus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 717.9549999999999
TPSA？: 142.66
MolLogP？: 9.947999999999997
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|