Trichodermamide A
AlkaPlorer ID: AK045907
Synonym: None
IUPAC Name: (4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
Structure
SMILES: COC1=CC=C2C=C(NC(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](O)[C@@]4(O)C3)C(=O)OC2=C1OC
InChI: InChI=1S/C20H20N2O9/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)14(24)6-4-12(23)17(20)31-22-11/h3-7,12,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20+/m1/s1
InChIKey: ZQOKLOPATOTAEE-OVCSSCHWSA-N
Reference
PubChem CID: 10982906
LOTUS: LTS0001182
SuperNatural Ⅲ: SN0477627-01
NPASS: NPC147248
{NPAtlas: NPA010786
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma sp. | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Trichoderma virens | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 432.3850000000002
TPSA？: 160.04999999999998
MolLogP？: -0.0836999999999997
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np0204390 |
| Enterococcus faecium | Enterococcus faecium | Activity | nan | None | 10.1021/np0204390 |
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.6b00963 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np0204390 |
| Homo sapiens | HeLa | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b00963 |
| Homo sapiens | HeLa | IC85 | 10.0 | uM | 10.1021/acs.jnatprod.6b00963 |
| Homo sapiens | HL-60 | IC50 | 89000.0 | nM | 10.1021/acs.jnatprod.6b00963 |
| Mus musculus | P388 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.6b00963 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np0204390 |