Trichoderpyrone
AlkaPlorer ID: AK108391
Synonym: None
IUPAC Name: 3-[(1R)-1-[(4R)-2-amino-4-ethenyl-4-hydroxy-5-oxocyclopenten-1-yl]ethyl]-4-hydroxy-6-methylpyran-2-one
Structure
SMILES: C=C[C@]1(O)CC(N)=C([C@@H](C)C2=C(O)C=C(C)OC2=O)C1=O
InChI: InChI=1S/C15H17NO5/c1-4-15(20)6-9(16)11(13(15)18)8(3)12-10(17)5-7(2)21-14(12)19/h4-5,8,17,20H,1,6,16H2,2-3H3/t8-,15+/m1/s1
InChIKey: IPFZSYWRCDUVTF-GLEZIHRCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma gamsii | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 291.30300000000005
TPSA？: 113.76
MolLogP？: 0.86002
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 16900.0 | nM | 10.1021/acs.jnatprod.7b00190 |
| Homo sapiens | HeLa | IC50 | 33900.0 | nM | 10.1021/acs.jnatprod.7b00190 |
| Homo sapiens | HepG2 | IC50 | 30800.0 | nM | 10.1021/acs.jnatprod.7b00190 |