Decaturin B
AlkaPlorer ID: AK063968
Synonym: None
IUPAC Name: (1S,2R,3'S,6S,7R,10R,12S)-3',12-dihydroxy-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@@]12OC1=C(C(=O)OC(C3=CC=CN=C3)=C1)[C@@H]2O
InChI: InChI=1S/C30H35NO6/c1-17-7-8-22-27(4,10-9-21-26(2,3)29(34)12-11-28(21,22)16-35-29)30(17)24(32)23-20(37-30)14-19(36-25(23)33)18-6-5-13-31-15-18/h5-7,13-15,21-22,24,32,34H,8-12,16H2,1-4H3/t21-,22-,24-,27+,28+,29-,30+/m0/s1
InChIKey: TWFKYYSBMIGIGV-SCBNGLQJSA-N
Reference
Antiinsectan Decaturin and Oxalicine Analogues from <i>Penicillium </i><i>t</i><i>hiersii</i>
PubChem CID: 10896433
LOTUS: LTS0148132
SuperNatural Ⅲ: SN0361688-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium thiersii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 505.6110000000003
TPSA？: 102.02
MolLogP？: 4.774100000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
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 | 89.0 | % | 10.1021/np0496486 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmcl.2020.127307 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2020.127307 |