SPORIDESMOLIDE I
AlkaPlorer ID: AK004865
Synonym: 'Sporidesmolide I'
IUPAC Name: 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)CC1N=C(O)C(C(C)C)N=C(O)CC(C)COC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N=C(O)C(C(C)C)OC1=O
InChI: InChI=1S/C33H58N4O8/c1-17(2)13-23-32(42)45-28(21(9)10)30(40)36-27(20(7)8)31(41)37(12)24(14-18(3)4)33(43)44-16-22(11)15-25(38)35-26(19(5)6)29(39)34-23/h17-24,26-28H,13-16H2,1-12H3,(H,34,39)(H,35,38)(H,36,40)
InChIKey: CWCLCJUWNJYVCD-UHFFFAOYSA-N
Reference
Isolation and structure of sporidesmolide V from cultures of <i>Pithomyces</i><i>chartarum</i>
PubChem CID: 122726
CAS: 2984-66-9
LOTUS: LTS0171996
COCONUT: CNP0212681
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudopithomyces chartarum | Pseudopithomyces | Didymosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 638.8470000000003
TPSA？: 170.68
MolLogP？: 5.343700000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 3.02 | % | 10.6019/CHEMBL4296183 |
| Candida albicans | Candida albicans | Inhibition | -1.26 | % | 10.6019/CHEMBL4296183 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -9.65 | % | 10.6019/CHEMBL4296183 |
| Escherichia coli | Escherichia coli | Inhibition | 6.85 | % | 10.6019/CHEMBL4296183 |
| Homo sapiens | 786-0 | GI50 | 31332.86 | nM | None |
| Homo sapiens | A498 | GI50 | 50003.45 | nM | None |
| Homo sapiens | A549 | GI50 | 50003.45 | nM | None |
| Homo sapiens | ACHN | GI50 | 50003.45 | nM | None |
| Homo sapiens | BT-549 | GI50 | 50003.45 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 48865.24 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 15170.5 | 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 | 50003.45 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 50003.45 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 50003.45 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 15205.48 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 26485.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 26668.59 | nM | None |
| Homo sapiens | HT-29 | GI50 | 50003.45 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 50003.45 | nM | None |
| Homo sapiens | K562 | GI50 | 50003.45 | nM | None |
| Homo sapiens | KM12 | GI50 | 50003.45 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 23496.33 | nM | None |
| Homo sapiens | M14 | GI50 | 38459.18 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 50003.45 | nM | None |
| Homo sapiens | MCF7 | GI50 | 50003.45 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 19724.23 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 50003.45 | nM | None |
| Homo sapiens | MDA-N | GI50 | 50003.45 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 50003.45 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 13031.67 | 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 | 50003.45 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 50003.45 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 37670.38 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 34673.69 | nM | None |
| Homo sapiens | PC-3 | GI50 | 50003.45 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 16069.41 | nM | None |
| Homo sapiens | SF-268 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SF-295 | GI50 | 38370.72 | nM | None |
| Homo sapiens | SF-539 | GI50 | 8279.42 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 18155.16 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 50003.45 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 29107.17 | nM | None |
| Homo sapiens | SN12C | GI50 | 50003.45 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 17100.15 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 10914.4 | nM | None |
| Homo sapiens | SR | GI50 | 50003.45 | nM | None |
| Homo sapiens | SW-620 | GI50 | 50003.45 | nM | None |
| Homo sapiens | T47D | GI50 | 50003.45 | nM | None |
| Homo sapiens | U-251 | GI50 | 31188.9 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 50003.45 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 15995.58 | nM | None |
| Homo sapiens | UO-31 | GI50 | 50003.45 | nM | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 6.52 | % | 10.6019/CHEMBL4296183 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 3.95 | % | 10.6019/CHEMBL4296183 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | -2.11 | % | 10.6019/CHEMBL4296183 |