Epichloenin A
AlkaPlorer ID: AK297507
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCO)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC1=O)CCO
InChI: InChI=1S/C46H74N12O18/c1-28(12-18-59)21-40(67)56(74)15-4-7-31-43(70)51-26-38(65)49-24-36(63)48-25-37(64)50-27-39(66)52-34(10-11-35(47)62)46(73)55-33(9-6-17-58(76)42(69)23-30(3)14-20-61)45(72)54-32(44(71)53-31)8-5-16-57(75)41(68)22-29(2)13-19-60/h21-23,31-34,59-61,74-76H,4-20,24-27H2,1-3H3,(H2,47,62)(H,48,63)(H,49,65)(H,50,64)(H,51,70)(H,52,66)(H,53,71)(H,54,72)(H,55,73)/b28-21+,29-22+,30-23+
InChIKey: ZYMBDGAKDFBIOX-ILKWKBCYSA-N
Reference
CAS: 1360473-20-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Epichloe festucae | Epichloe | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1083.1639999999998
TPSA？: 458.1999999999998
MolLogP？: -5.350400000000024
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|