Versimide; (±)-form
AlkaPlorer ID: AK317564
Synonym: None
IUPAC Name: methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)prop-2-enoate
Structure
SMILES: C=C(C(=O)OC)N1C(=O)CC(C)C1=O
InChI: InChI=1S/C9H11NO4/c1-5-4-7(11)10(8(5)12)6(2)9(13)14-3/h5H,2,4H2,1,3H3
InChIKey: KHFBUINXBGUEQW-UHFFFAOYSA-N
Reference
Versimide, a metabolite of Aspergillus versicolor
PubChem CID: 301117
CAS: 30270-17-8
LOTUS: LTS0057899
COCONUT: CNP0394745.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus versicolor | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Gibellula sp. | Gibellula | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 197.19
TPSA？: 63.68
MolLogP？: 0.0680999999999998
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 10665.96 | nM | None |
| Homo sapiens | A498 | GI50 | 20653.8 | nM | None |
| Homo sapiens | A549 | GI50 | 20941.12 | nM | None |
| Homo sapiens | ACHN | GI50 | 2831.39 | nM | None |
| Homo sapiens | BT-549 | GI50 | 14588.14 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 1132.4 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 1702.16 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 4197.59 | nM | None |
| Homo sapiens | DU-145 | GI50 | 15776.11 | nM | None |
| Homo sapiens | EKVX | GI50 | 14655.48 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 16069.41 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 6668.07 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 7447.32 | nM | None |
| Homo sapiens | HL-60 | GI50 | 1367.73 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 17538.81 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 1945.36 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 24322.04 | nM | None |
| Homo sapiens | HT-29 | GI50 | 10690.55 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 15885.47 | nM | None |
| Homo sapiens | K562 | GI50 | 2870.78 | nM | None |
| Homo sapiens | KM12 | GI50 | 20323.57 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 7144.96 | nM | None |
| Homo sapiens | M14 | GI50 | 13740.42 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 2449.06 | nM | None |
| Homo sapiens | MCF7 | GI50 | 10303.86 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 17619.76 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 16904.41 | nM | None |
| Homo sapiens | MDA-N | GI50 | 14223.29 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 3334.26 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 15631.48 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 27039.58 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 17864.88 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 44157.04 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 18071.74 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 1896.71 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 8053.78 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 18155.16 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 15066.07 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 15275.66 | nM | None |
| Homo sapiens | PC-3 | GI50 | 16143.59 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 4909.08 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 9705.1 | nM | None |
| Homo sapiens | SF-268 | GI50 | 16672.47 | nM | None |
| Homo sapiens | SF-295 | GI50 | 29107.17 | nM | None |
| Homo sapiens | SF-539 | GI50 | 18967.06 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 16865.53 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 9549.93 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 16904.41 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 35727.28 | nM | None |
| Homo sapiens | SN12C | GI50 | 16069.41 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 21379.62 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 16982.44 | nM | None |
| Homo sapiens | SR | GI50 | 2594.18 | nM | None |
| Homo sapiens | SW-620 | GI50 | 9354.06 | nM | None |
| Homo sapiens | T47D | GI50 | 11142.95 | nM | None |
| Homo sapiens | TK-10 | GI50 | 6792.04 | nM | None |
| Homo sapiens | U-251 | GI50 | 17418.07 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 12331.05 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 15170.5 | nM | None |
| Homo sapiens | UO-31 | GI50 | 13061.71 | nM | None |