Decaturin C
AlkaPlorer ID: AK040258
Synonym: None
IUPAC Name: (1S,2R,6S,7R,10R,12S)-12-hydroxy-5,7,11,11-tetramethyl-6'-pyridin-3-ylspiro[13-oxatetracyclo[10.2.2.01,10.02,7]hexadec-4-ene-6,2'-3H-furo[3,2-c]pyran]-4'-one
Structure
SMILES: CC1=CC[C@@H]2[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]12CC1=C(C=C(C3=CC=CN=C3)OC1=O)O2
InChI: InChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1
InChIKey: VVYVYDOUCPUFSI-XHVWOXFNSA-N
Reference
Antiinsectan Decaturin and Oxalicine Analogues from <i>Penicillium </i><i>t</i><i>hiersii</i>
PubChem CID: 21593948
LOTUS: LTS0003564
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium thiersii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 489.6120000000003
TPSA？: 81.79
MolLogP？: 5.283200000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | 28.0 | % | 10.1021/np0496486 |