Not named
AlkaPlorer ID: AK059206
Synonym: None
IUPAC Name: [(1S,7R,8R,14S)-8-hydroxy-5-methyl-7-methylsulfanyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-9,12-dien-14-yl] 3-(5-formyl-2-methoxyphenoxy)-4-methoxybenzoate
Structure
SMILES: COC1=CC=C(C=O)C=C1OC1=CC(C(=O)O[C@H]2C=COC=C3[C@@H](O)[C@@]4(SC)C(=O)N(C)C(=O)C(=O)N4[C@@H]32)=CC=C1OC
InChI: InChI=1S/C29H26N2O11S/c1-30-25(34)26(35)31-23-17(24(33)29(31,43-4)28(30)37)14-40-10-9-20(23)42-27(36)16-6-8-19(39-3)22(12-16)41-21-11-15(13-32)5-7-18(21)38-2/h5-14,20,23-24,33H,1-4H3/t20-,23-,24+,29+/m0/s1
InChIKey: IJUUFRHGGGTUHO-HTZDSBNASA-N
Reference
MPC1001 and Its Analogues: New Antitumor Agents from the Fungus <i>Cladorrhinum</i> Species
PubChem CID: 101332728
LOTUS: LTS0259864
NPASS: NPC484916
{NPAtlas: NPA004183
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: 610.5970000000001
TPSA？: 158.21
MolLogP？: 1.8914
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | None | None | 10.1021/acs.jnatprod.6b00498 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | None | None | 10.1021/acs.jnatprod.6b00498 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/acs.jnatprod.6b00498 |
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/acs.jnatprod.6b00498 |