(2R,4bS,6aS,12bS,12cR,14aS)-9,10-diisopentenylpaxilline
AlkaPlorer ID: AK086795
Synonym: 'Indole-diterpenoid 5'
IUPAC Name: (1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17(22),18,20-pentaen-8-one
Structure
SMILES: CC(C)=CCC1=CC2=C(C=C1CC=C(C)C)C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@@]32C)C1
InChI: InChI=1S/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1
InChIKey: YMPSZJNRZBHLRI-OGYDQXLWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium camemberti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 571.8020000000001
TPSA？: 82.55
MolLogP？: 6.97410000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | IC50 | 73300.0 | nM | 10.1021/np400304q |