Decaturin D
AlkaPlorer ID: AK010699
Synonym: None
IUPAC Name: (2S,4'aR,4'bR,8'aR,10'aR)-1',1',4'a,7',8'a-pentamethyl-6-pyridin-3-ylspiro[3H-furo[3,2-c]pyran-2,8'-4,4b,5,9,10,10a-hexahydro-3H-phenanthrene]-2',4-dione
Structure
SMILES: CC1=CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12CC1=C(C=C(C3=CC=CN=C3)OC1=O)O2
InChI: InChI=1S/C30H35NO4/c1-18-8-9-24-28(4)12-11-25(32)27(2,3)23(28)10-13-29(24,5)30(18)16-20-22(35-30)15-21(34-26(20)33)19-7-6-14-31-17-19/h6-8,14-15,17,23-24H,9-13,16H2,1-5H3/t23-,24+,28-,29+,30-/m0/s1
InChIKey: AHYSWFBBMLPXFU-XBRQCBKPSA-N
Reference
Antiinsectan Decaturin and Oxalicine Analogues from <i>Penicillium </i><i>t</i><i>hiersii</i>
PubChem CID: 11178957
LOTUS: LTS0127389
SuperNatural Ⅲ: SN0006147-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium thiersii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 473.6130000000003
TPSA？: 69.4
MolLogP？: 6.153400000000007
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | HT-22 | Activity | nan | None | 10.1016/j.bmcl.2020.127307 |
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | 77.0 | % | 10.1021/np0496486 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2020.127307 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2020.127307 |