Microsphaerone A
AlkaPlorer ID: AK012767
Synonym: None
IUPAC Name: (8E,10E)-11-[5-[[(3S)-3-carboxybutanoyl]carbamoyl]-4-oxopyran-2-yl]undeca-8,10-dienoic acid
Structure
SMILES: C[C@@H](CC(O)=NC(=O)C1=COC(/C=C/C=C/CCCCCCC(=O)O)=CC1=O)C(=O)O
InChI: InChI=1S/C22H27NO8/c1-15(22(29)30)12-19(25)23-21(28)17-14-31-16(13-18(17)24)10-8-6-4-2-3-5-7-9-11-20(26)27/h4,6,8,10,13-15H,2-3,5,7,9,11-12H2,1H3,(H,26,27)(H,29,30)(H,23,25,28)/b6-4+,10-8+/t15-/m0/s1
InChIKey: VXFQAPGOPXEMPB-ZDHJVBDKSA-N
Reference
PubChem CID: 636775
LOTUS: LTS0246518
SuperNatural Ⅲ: SN0402549-03
NPASS: NPC142873
{NPAtlas: NPA019792
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microsphaeropsis sp. | Microsphaeropsis | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| None | Microsphaeropsis | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 433.4570000000003
TPSA？: 154.47
MolLogP？: 3.8419000000000016
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | None | None | 10.1021/np0104828 |
| Spodoptera littoralis | Spodoptera littoralis | Activity | None | None | 10.1021/np0104828 |