Episarcodonin
AlkaPlorer ID: AK322166
Synonym: None
IUPAC Name: [4-[2,3-diacetyloxy-4-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-5,6-dihydroxyphenyl]phenyl] acetate
Structure
SMILES: CCC(C)C1=C(O)[N+]2([O-])OC3=CC=C(C4=C(O)C(O)=C(C5=CC=C(OC(C)=O)C=C5)C(OC(C)=O)=C4OC(C)=O)C=C3OC2(C(C)CC)C(=O)N1O
InChI: InChI=1S/C36H38N2O14/c1-8-17(3)29-34(44)38(47)36(18(4)9-2,35(45)37(29)46)51-26-16-23(12-15-25(26)52-38)28-31(43)30(42)27(22-10-13-24(14-11-22)48-19(5)39)32(49-20(6)40)33(28)50-21(7)41/h10-18,42-44,46H,8-9H2,1-7H3
InChIKey: ULLCSSTZNGODKE-UHFFFAOYSA-N
Reference
PubChem CID: 404541
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcodon leucopus | Sarcodon | Thelephoraceae | Thelephorales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 722.7000000000002
TPSA？: 221.64999999999995
MolLogP？: 5.955500000000006
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 50003.45 | nM | None |
| Homo sapiens | A498 | GI50 | 19275.25 | nM | None |
| Homo sapiens | A498 | GI50 | 50003.45 | nM | None |
| Homo sapiens | A549 | GI50 | 29174.27 | nM | None |
| Homo sapiens | A549 | GI50 | 50003.45 | nM | None |
| Homo sapiens | ACHN | GI50 | 50003.45 | nM | None |
| Homo sapiens | BT-549 | GI50 | 45603.69 | nM | None |
| Homo sapiens | BT-549 | GI50 | 50003.45 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 50003.45 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 19186.69 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 19319.68 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 50003.45 | nM | None |
| Homo sapiens | DU-145 | GI50 | 50003.45 | nM | None |
| Homo sapiens | EKVX | GI50 | 50003.45 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 11912.42 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 50003.45 | nM | None |
| Homo sapiens | HL-60 | GI50 | 23988.33 | nM | None |
| Homo sapiens | HL-60 | GI50 | 27352.69 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 50003.45 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 8165.82 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 10023.05 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 50003.45 | nM | None |
| Homo sapiens | HT-29 | GI50 | 50003.45 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 17139.57 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 25644.84 | nM | None |
| Homo sapiens | K562 | GI50 | 15381.55 | nM | None |
| Homo sapiens | K562 | GI50 | 28773.98 | nM | None |
| Homo sapiens | KM12 | GI50 | 50003.45 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 37153.52 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 38282.47 | nM | None |
| Homo sapiens | M14 | GI50 | 50003.45 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 34593.94 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 45185.59 | nM | None |
| Homo sapiens | MCF7 | GI50 | 50003.45 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 50003.45 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 22908.68 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 26121.61 | nM | None |
| Homo sapiens | MDA-N | GI50 | 24266.1 | nM | None |
| Homo sapiens | MDA-N | GI50 | 36307.81 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 14354.89 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 23659.2 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 14387.99 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 16069.41 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 50003.45 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 12912.19 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 14859.36 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 50003.45 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 50003.45 | nM | None |
| Homo sapiens | PC-3 | GI50 | 50003.45 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 33806.48 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 50003.45 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SF-268 | GI50 | 41209.75 | nM | None |
| Homo sapiens | SF-268 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SF-295 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SF-539 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 46131.76 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 29174.27 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SN12C | GI50 | 42854.85 | nM | None |
| Homo sapiens | SN12C | GI50 | 50003.45 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SR | GI50 | 13931.57 | nM | None |
| Homo sapiens | SR | GI50 | 22284.35 | nM | None |
| Homo sapiens | SW-620 | GI50 | 24154.61 | nM | None |
| Homo sapiens | SW-620 | GI50 | 50003.45 | nM | None |
| Homo sapiens | T47D | GI50 | 42657.95 | nM | None |
| Homo sapiens | T47D | GI50 | 50003.45 | nM | None |
| Homo sapiens | TK-10 | GI50 | 50003.45 | nM | None |
| Homo sapiens | U-251 | GI50 | 50003.45 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 50003.45 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 31260.79 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 50003.45 | nM | None |
| Homo sapiens | UO-31 | GI50 | 50003.45 | nM | None |