Metacridamide A
AlkaPlorer ID: AK062425
Synonym: None
IUPAC Name: [(3S,6E,8S,9R,10E,12S,13S,14E,16S,17R)-3-benzyl-9-hydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-2,5-dioxo-1-oxa-4-azacycloheptadeca-6,10,14-trien-13-yl] acetate
Structure
SMILES: CC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)[C@H](OC(C)=O)/C(C)=C/[C@@H]1C
InChI: InChI=1S/C37H55NO6/c1-11-22(2)17-25(5)35-28(8)20-27(7)34(43-30(10)39)26(6)18-23(3)33(40)24(4)19-29(9)36(41)38-32(37(42)44-35)21-31-15-13-12-14-16-31/h12-16,18-20,22,24-26,28,32-35,40H,11,17,21H2,1-10H3,(H,38,41)/b23-18+,27-20+,29-19+/t22-,24-,25-,26-,28-,32-,33-,34-,35+/m0/s1
InChIKey: WIRRTALUVUQONX-HVCDBQLESA-N
Reference
Calyxamides A and B, Cytotoxic Cyclic Peptides from the Marine Sponge <i>Discodermia calyx</i>
PubChem CID: 57332100
LOTUS: LTS0085755
NPASS: NPC160493
{NPAtlas: NPA015761
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium acridum | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 609.8480000000002
TPSA？: 101.93
MolLogP？: 6.751400000000008
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aedes aegypti | Aedes aegypti | Activity | nan | None | 10.1021/np2007044 |
| Aedes aegypti | Aedes aegypti | Activity | nan | None | 10.1021/np2009187 |
| Bacillus cereus | Bacillus cereus | Activity | nan | None | 10.1021/np2009187 |
| Bacillus cereus | Bacillus cereus | IZ | nan | None | 10.1021/np2007044 |
| Beauveria bassiana | Beauveria bassiana | Activity | nan | None | 10.1021/np2009187 |
| Beauveria bassiana | Beauveria bassiana | IZ | nan | None | 10.1021/np2007044 |
| Botrytis cinerea | Botrytis cinerea | Activity | nan | None | 10.1021/np2009187 |
| Botrytis cinerea | Botrytis cinerea | IZ | nan | None | 10.1021/np2007044 |
| Colletotrichum acutatum | Colletotrichum acutatum | Activity | nan | None | 10.1021/np2009187 |
| Colletotrichum acutatum | Colletotrichum acutatum | IZ | nan | None | 10.1021/np2007044 |
| Drosophila melanogaster | Drosophila melanogaster | Activity | nan | None | 10.1021/np2007044 |
| Drosophila melanogaster | Drosophila melanogaster | Activity | nan | None | 10.1021/np2009187 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np2009187 |
| Escherichia coli | Escherichia coli | IZ | nan | None | 10.1021/np2007044 |
| Homo sapiens | Caco-2 | IC50 | 6200.0 | nM | 10.1021/np2007044 |
| Homo sapiens | Caco-2 | IC50 | 6200.0 | nM | 10.1021/np2009187 |
| Homo sapiens | MCF7 | IC50 | 11000.0 | nM | 10.1021/np2007044 |
| Homo sapiens | MCF7 | IC50 | 11000.0 | nM | 10.1021/np2009187 |
| Lactuca sativa | Lactuca sativa | Activity | nan | None | 10.1021/np2009187 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np2009187 |
| None | NON-PROTEIN TARGET | IC50 | 10800.0 | nM | 10.1021/np2007044 |
| None | NON-PROTEIN TARGET | IC50 | 10800.0 | nM | 10.1021/np2009187 |