Emestrin; 11-Deoxy, 2''-Me ether
AlkaPlorer ID: AK297386
Synonym: Antibiotic MPC 1001B, MPC 1001B
IUPAC Name: 23-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=C2C=C(C=C1)C(=O)OC1C=COC=C3CC45SSC(C(=O)N4C31)(C(O)C1=CC(=C(OC)C=C1)O2)N(C)C5=O
InChI: InChI=1S/C28H24N2O9S2/c1-29-25(33)27-12-16-13-37-9-8-19-22(16)30(27)26(34)28(29,41-40-27)23(31)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
InChIKey: DXKCEUGOBOSHKR-UHFFFAOYSA-N
Reference
MPC1001 and Its Analogues: New Antitumor Agents from the Fungus <i>Cladorrhinum</i> Species
PubChem CID: 10210716
LOTUS: LTS0254764
COCONUT: CNP0159229.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladorrhinum sp. | Cladorrhinum | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 596.6390000000001
TPSA？: 124.07000000000002
MolLogP？: 3.3568000000000024
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|