Trichodin A
AlkaPlorer ID: AK063009
Synonym: 'Trichodin A', 'Tolypyridone A'
IUPAC Name: (6R,6aR,8R,10S,10aR)-4-(4-hydroxyphenyl)-6,8,10-trimethyl-2,6,6a,7,8,9,10,10a-octahydroisochromeno[4,3-c]pyridin-1-one
Structure
SMILES: C[C@H]1C[C@@H]2[C@H](C3=C(O)N=CC(C4=CC=C(O)C=C4)=C3O[C@@H]2C)[C@@H](C)C1
InChI: InChI=1S/C21H25NO3/c1-11-8-12(2)18-16(9-11)13(3)25-20-17(10-22-21(24)19(18)20)14-4-6-15(23)7-5-14/h4-7,10-13,16,18,23H,8-9H2,1-3H3,(H,22,24)/t11-,12+,13-,16+,18-/m1/s1
InChIKey: JKHFIPJZPCQUBU-HHQKBZALSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tolypocladium cylindrosporum | Tolypocladium | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 339.4350000000001
TPSA？: 62.58000000000001
MolLogP？: 4.706500000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 6250.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Escherichia coli | Escherichia coli | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.0c00675 |