Asporyzin A
AlkaPlorer ID: AK013002
Synonym: None
IUPAC Name: (1S,2S,5S,7R,9S,10R,13S)-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6-oxa-22-azapentacyclo[11.10.0.02,10.05,9.016,21]tricosa-16,18,20-triene-15,23-dione
Structure
SMILES: CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC(=O)C4=CC=CC=C4NC(=O)[C@@]23C)O1
InChI: InChI=1S/C28H37NO3/c1-17(2)14-19-16-26(3)23-11-10-18-15-22(30)20-8-6-7-9-21(20)29-25(31)28(18,5)27(23,4)13-12-24(26)32-19/h6-9,14,18-19,23-24H,10-13,15-16H2,1-5H3,(H,29,31)/t18-,19-,23-,24-,26-,27-,28+/m0/s1
InChIKey: WPOJQZPWCWZDGM-VSUSBFIXSA-N
Reference
Indoloditerpenes from an algicolous isolate of Aspergillus oryzae
PubChem CID: 52947705
LOTUS: LTS0090453
NPASS: NPC114808
{NPAtlas: NPA000340
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus oryzae | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Fusarium sp. | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 435.6080000000001
TPSA？: 55.400000000000006
MolLogP？: 6.174100000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | 61.9 | % | 10.1016/j.bmcl.2010.08.024 |
| Colletotrichum lagenaria | Colletotrichum lagenaria | Activity | nan | None | 10.1016/j.bmcl.2010.08.024 |
| Escherichia coli | Escherichia coli | DIZ | nan | None | 10.1016/j.bmcl.2010.08.024 |
| Fusarium oxysporum | Fusarium oxysporum | Activity | nan | None | 10.1016/j.bmcl.2010.08.024 |
| Homo sapiens | Acetylcholinesterase | Inhibition | 13.7 | % | 10.1016/j.bmcl.2010.08.024 |
| Zika virus | Zika virus | EC50 | 18000.0 | nM | 10.1021/acs.jnatprod.0c00717 |