Destruxins; Destruxin A
AlkaPlorer ID: AK294923
Synonym: None
IUPAC Name: 16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Structure
SMILES: C=CCC1OC(=O)CCN=C(O)C(C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(C(C)CC)N=C(O)C2CCCN2C1=O
InChI: InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)
InChIKey: XIYSEKITPHTMJT-UHFFFAOYSA-N
Reference
Dihydrodestruxin a: A natural destruxin from Metarhizium anisopliae
PubChem CID: 122810
CAS: 6686-70-0
LOTUS: LTS0271297
COCONUT: CNP0201695.13
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium anisopliae | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Ophiocordyceps coccidiicola | Ophiocordyceps | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Trichothecium roseum | Trichothecium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 577.7230000000001
TPSA？: 152.41
MolLogP？: 2.526600000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 4613.18 | nM | None |
| Homo sapiens | A549 | GI50 | 9840.11 | nM | None |
| Homo sapiens | ACHN | GI50 | 18365.38 | nM | None |
| Homo sapiens | BT-549 | GI50 | 31988.95 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 81470.43 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 3097.42 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 44874.54 | nM | None |
| Homo sapiens | EKVX | GI50 | 3228.49 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 2254.24 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 3681.29 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 23227.37 | nM | None |
| Homo sapiens | HL-60 | GI50 | 2564.48 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 10162.49 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 21727.01 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 91622.05 | nM | None |
| Homo sapiens | HT-29 | GI50 | 3908.41 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 7063.18 | nM | None |
| Homo sapiens | KM12 | GI50 | 10789.47 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 1849.27 | nM | None |
| Homo sapiens | M14 | GI50 | 30478.95 | nM | None |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 1621.81 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 4216.97 | nM | None |
| Homo sapiens | MDA-N | GI50 | 100000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 2113.49 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 33189.45 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 23713.74 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 3664.38 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 15958.79 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 2157.74 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 66834.39 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 7888.6 | nM | None |
| Homo sapiens | PC-3 | GI50 | 5847.9 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 2624.22 | nM | None |
| Homo sapiens | SF-268 | GI50 | 81096.11 | nM | None |
| Homo sapiens | SF-295 | GI50 | 4083.19 | nM | None |
| Homo sapiens | SF-539 | GI50 | 45081.67 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 9078.21 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 42657.95 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 2443.43 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 1250.26 | nM | None |
| Homo sapiens | SR | GI50 | 2576.32 | nM | None |
| Homo sapiens | SW-620 | GI50 | 6637.43 | nM | None |
| Homo sapiens | T47D | GI50 | 20844.91 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 49545.02 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 9440.61 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 2679.17 | nM | None |
| Homo sapiens | UO-31 | GI50 | 22750.97 | nM | None |