Not named
AlkaPlorer ID: AK087187
Synonym: 'MPC1001C'
IUPAC Name: (1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione
Structure
SMILES: COC1=CC=C2C=C1OC1=CC(=CC=C1OC)C(=O)O[C@H]1C=COC=C3[C@@H](O)[C@]45SS[C@](C2)(C(=O)N4[C@@H]31)N(C)C5=O
InChI: InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1
InChIKey: QVZZDKDFWLWKPS-BZERRRCQSA-N
Reference
MPC1001 and Its Analogues: New Antitumor Agents from the Fungus <i>Cladorrhinum</i> Species
PubChem CID: 11273390
LOTUS: LTS0200630
NPASS: NPC484913
{NPAtlas: NPA008656
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladorrhinum sp. | Cladorrhinum | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Podospora australis | Podospora | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 596.6390000000001
TPSA？: 124.07
MolLogP？: 2.8367000000000004
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 1.6 | ug.mL-1 | 10.1021/acs.jnatprod.6b00498 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/acs.jnatprod.6b00498 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.6b00498 |
| None | NON-PROTEIN TARGET | MIC | 25.6 | ug.mL-1 | 10.1021/acs.jnatprod.6b00498 |