Trichodin A
AlkaPlorer ID: AK063010
Synonym: 'Trichodin A', 'Tolypyridone A'
IUPAC Name: (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: CC1OC2=C(C3=CC=C(O)C=C3)C=NC(O)=C2[C@@H]2[C@@H](C)C[C@@H](C)C[C@@H]12
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-UMJSMPKTSA-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？: 62.58
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 |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | K562 | IC50 | 40000.0 | nM | 10.1021/np501018w |
| Homo sapiens | MDA-MB-231 | IC50 | 40000.0 | nM | 10.1021/np501018w |