Emestrin; Trisulfide homologue, 2''-Me ether
AlkaPlorer ID: AK297391
Synonym: Emestrin D, Antibiotic MPC 1001D, MPC 1001D
IUPAC Name: 23,33-dihydroxy-15,19-dimethoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.11,4.12,24.112,16.118,22.03,9]tritriaconta-4,7,12(32),13,15,18,20,22(31)-octaene-11,28,30-trione
Structure
SMILES: COC1=C2C=C(C=C1)C(=O)OC1C=COC=C3C1N1C(=O)C4(SSSC1(C(=O)N4C)C3O)C(O)C1=CC(=C(OC)C=C1)O2
InChI: InChI=1S/C28H24N2O10S3/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-43-42-28)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: MEOWQXLCYBXMOB-UHFFFAOYSA-N
Reference
MPC1001 and Its Analogues: New Antitumor Agents from the Fungus <i>Cladorrhinum</i> Species
PubChem CID: 10189674
LOTUS: LTS0102378
COCONUT: CNP0357565.1
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: 644.7050000000002
TPSA？: 144.3
MolLogP？: 2.9758000000000013
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|