Tolypocladin K
AlkaPlorer ID: AK119216
Synonym: None
IUPAC Name: (1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-21-(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
Structure
SMILES: CC(C)=CCC1=CC=C2C3=C(NC2=C1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@@]21C)C3
InChI: InChI=1S/C32H43NO5/c1-17(2)7-8-18-9-10-20-21-16-19-11-14-31(36)29(5,30(19,6)25(21)33-22(20)15-18)13-12-23-32(31)27(38-32)24(34)26(37-23)28(3,4)35/h7,9-10,15,19,23-24,26-27,33-36H,8,11-14,16H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1
InChIKey: MDFJPAQEPZLTCB-JSVBYLJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 521.6980000000002
TPSA？: 98.24
MolLogP？: 4.468400000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bipolaris maydis | Bipolaris maydis | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Botrytis cinerea | Botrytis cinerea | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Colletotrichum acutatum | Colletotrichum acutatum | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Fusarium graminearum | Fusarium graminearum | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Phytophthora parasitica | Phytophthora parasitica | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |
| Verticillium dahliae | Verticillium dahliae | MIC | 25.0 | ug.mL-1 | 10.1016/j.ejmech.2020.112860 |