(2R,4bS,6aS,12bS,12cR,14aS)-2'-hydroxypaxilline
AlkaPlorer ID: AK079854
Synonym: 'Indole-diterpenoid 4'
IUPAC Name: (1S,2R,5S,7R,11S,14S)-7-(1,2-dihydroxypropan-2-yl)-11-hydroxy-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Structure
SMILES: CC(O)(CO)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC=CC=C56)[C@@]43C)C2=CC1=O
InChI: InChI=1S/C27H33NO5/c1-24(31,14-29)23-20(30)13-18-21(33-23)9-10-25(2)26(3)15(8-11-27(18,25)32)12-17-16-6-4-5-7-19(16)28-22(17)26/h4-7,13,15,21,23,28-29,31-32H,8-12,14H2,1-3H3/t15-,21-,23-,24?,25+,26+,27+/m0/s1
InChIKey: YCXQGKDLXRHABX-SUWUUCHZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium camemberti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 451.56300000000016
TPSA？: 102.78
MolLogP？: 2.929100000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
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 | 124700.0 | nM | 10.1021/np400304q |