Aspochalamin A; 17-Deoxy
AlkaPlorer ID: AK289586
Synonym: Aspochalamin C
IUPAC Name: 2-[[5-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-4-yl]amino]-N-[1-[2-(1H-indol-3-yl)ethenylamino]-1-oxopropan-2-yl]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)C(O)CCC1
InChI: InChI=1S/C44H55N5O5/c1-25(2)20-37-40-28(5)27(4)22-31-21-26(3)12-11-17-38(50)36(23-39(51)44(31,40)43(54)49-37)48-35-16-10-8-14-33(35)42(53)47-29(6)41(52)45-19-18-30-24-46-34-15-9-7-13-32(30)34/h7-10,13-16,18-19,21-22,24-25,28-29,31,36-38,40,46,48,50H,11-12,17,20,23H2,1-6H3,(H,45,52)(H,47,53)(H,49,54)
InChIKey: YELHVTGJKDJFEW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus niveus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 733.9540000000001
TPSA？: 162.89
MolLogP？: 8.918800000000001
Number of H-Donors: 6
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|