Emestrin; 2''-Me ether
AlkaPlorer ID: AK297387
Synonym: Emestrin C, Antibiotic MPC 1001, MPC 1001
IUPAC Name: 23,32-dihydroxy-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=C3C1N1C(=O)C4(SSC1(C(=O)N4C)C3O)C(O)C1=CC(=C(OC)C=C1)O2
InChI: InChI=1S/C28H24N2O10S2/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3
InChIKey: BPRXOIXJSLNVCK-UHFFFAOYSA-N
Reference
MPC1001, a New Antitumor Antibiotic Produced by Cladorrhinum sp.
PubChem CID: 9960550
LOTUS: LTS0214888
COCONUT: CNP0357571.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Verticimonosporium | None | None | None | Ascomycota | Fungi | Eukaryota |
| Cladorrhinum sp. | Cladorrhinum | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| Podospora australis | Podospora | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 612.6380000000001
TPSA？: 144.3
MolLogP？: 2.3276000000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|