Trichobotrysin D
AlkaPlorer ID: AK078210
Synonym: None
IUPAC Name: (3Z,5R)-3-[[(1S,2S,4aR,8S,8aR)-2-[(E)-but-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
Structure
SMILES: C/C=C(\C)[C@H]1C(C)=C[C@@H]2CCC[C@H](C)[C@H]2[C@@H]1/C(O)=C1\C(=O)[C@@H](C(C)C)N(C)C1=O
InChI: InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,27H,9-11H2,1-7H3/b14-8+,23-21-/t15-,17-,18-,19+,20+,22+/m0/s1
InChIKey: CFYZWMOGIXBXRL-NKFVHPGGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Trichobotrys | None | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 399.57500000000016
TPSA？: 57.61
MolLogP？: 5.075100000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | IC50 | 3120.0 | nM | 10.1016/j.ejmech.2020.112790 |