(6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol
AlkaPlorer ID: AK075812
Synonym: None
IUPAC Name: (6S,7R,10E,14E)-16-(1H-indol-3-yl)-2,6,10,14-tetramethylhexadeca-2,10,14-triene-6,7-diol
Structure
SMILES: CC(C)=CCC[C@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C28H41NO2/c1-21(2)10-9-19-28(5,31)27(30)18-16-23(4)12-8-11-22(3)15-17-24-20-29-26-14-7-6-13-25(24)26/h6-7,10,12-15,20,27,29-31H,8-9,11,16-19H2,1-5H3/b22-15+,23-12+/t27-,28+/m1/s1
InChIKey: QSCZFXVTYWFEJV-IQRZJAOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium camemberti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 423.6410000000001
TPSA？: 56.25
MolLogP？: 7.021700000000008
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 2
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 | 34100.0 | nM | 10.1021/np400304q |