Didemnimide A
AlkaPlorer ID: AK066467
Synonym: 3-(1H-Imidazol-4-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
IUPAC Name: 3-(1H-imidazol-5-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
Structure
SMILES: O=C1N=C(O)C(C2=CNC3=CC=CC=C23)=C1C1=CN=CN1
InChI: InChI=1S/C15H10N4O2/c20-14-12(9-5-17-10-4-2-1-3-8(9)10)13(15(21)19-14)11-6-16-7-18-11/h1-7,17H,(H,16,18)(H,19,20,21)
InChIKey: HYVUONWSNKUQCE-UHFFFAOYSA-N
Reference
Didemnidines A and B, Indole Spermidine Alkaloids from the New Zealand Ascidian<i>Didemnum</i>sp.
PubChem CID: 398493
CAS: 186143-93-1
LOTUS: LTS0145526
NPASS: NPC282247
COCONUT: CNP0330596
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum conchyliatum | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 278.271
TPSA？: 94.13
MolLogP？: 2.2985
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 46344.69 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 47315.13 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 49545.02 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 41783.04 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 26853.44 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 64268.77 | nM | None |
| Homo sapiens | HT-29 | GI50 | 66374.31 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 5610.48 | nM | None |
| Homo sapiens | KM12 | GI50 | 45185.59 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 59020.11 | nM | None |
| Homo sapiens | M14 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 34514.37 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 75335.56 | nM | None |
| Homo sapiens | MDA-N | GI50 | 74301.91 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 8472.27 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 1790.61 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 55335.01 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 56754.46 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 82035.15 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 48977.88 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 32885.16 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 43351.09 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 22490.55 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SR | GI50 | 23604.78 | nM | None |
| Homo sapiens | SW-620 | GI50 | 57279.6 | nM | None |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 89536.48 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 70631.76 | nM | None |