9-prenylpaxilline
AlkaPlorer ID: AK090887
Synonym: None
IUPAC Name: (1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19-(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=CC=C2NC3=C(C[C@@H]4CC[C@@]5(O)C6=CC(=O)[C@@H](C(C)(C)O)O[C@H]6CC[C@]5(C)[C@@]34C)C2=C1
InChI: InChI=1S/C32H41NO4/c1-18(2)7-8-19-9-10-24-21(15-19)22-16-20-11-14-32(36)23-17-25(34)28(29(3,4)35)37-26(23)12-13-30(32,5)31(20,6)27(22)33-24/h7,9-10,15,17,20,26,28,33,35-36H,8,11-14,16H2,1-6H3/t20-,26-,28-,30+,31+,32+/m0/s1
InChIKey: SJIZYQLZTLQSKI-QBTJWMPOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium miczynskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 503.68300000000033
TPSA？: 82.55
MolLogP？: 5.465400000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | nan | None | 10.1021/acs.jnatprod.8b00723 |
| Homo sapiens | HEK293 | IC50 | nan | None | 10.1021/acs.jnatprod.8b00723 |
| Homo sapiens | J82 | IC50 | nan | None | 10.1021/acs.jnatprod.8b00723 |
| Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | IC50 | 6600.0 | nM | 10.1021/np400304q |
| Mus musculus | L5178Y | IC50 | 12900.0 | nM | 10.1021/acs.jnatprod.8b00723 |