Fusaindoterpene B
AlkaPlorer ID: AK002921
Synonym: None
IUPAC Name: [(1S,12S,15R,16S,17S,20S)-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl] 2-acetyloxyacetate
Structure
SMILES: CC(=CCC[C@]1([C@@H]2CC[C@H]3CC4=C([C@@]3([C@]2(CC[C@@H]1OC(=O)COC(=O)C)C)C)NC5=CC=CC=C45)C)C
InChI: InChI=1S/C32H43NO4/c1-20(2)10-9-16-30(4)26-14-13-22-18-24-23-11-7-8-12-25(23)33-29(24)32(22,6)31(26,5)17-15-27(30)37-28(35)19-36-21(3)34/h7-8,10-12,22,26-27,33H,9,13-19H2,1-6H3/t22-,26-,27-,30-,31-,32+/m0/s1
InChIKey: CVMVECVPXLKFFQ-WHHCLZIQSA-N
Reference
PubChem CID: 156580973
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium sp. | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 505.6990000000003
TPSA？: 68.39
MolLogP？: 7.0356000000000085
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Zika virus | Zika virus | EC50 | 7500.0 | nM | 10.1016/j.bmc.2021.116366 |
| Zika virus | Zika virus | EC50 | 7500.0 | nM | 10.1021/acs.jnatprod.0c00717 |