Exserohilone
AlkaPlorer ID: AK032828
Synonym: '', 'Exserohilone', '99572-22-2'
IUPAC Name: (1S,4R,5R,9R,11S,14R,15S,19R)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,8,12,18-tetrone
Structure
SMILES: CS[C@]12C[C@H]3C(=O)C=C[C@@H](O)[C@@H]3N1C(=O)[C@@]1(SC)C[C@H]3C(=O)C=C[C@H](O)[C@@H]3N1C2=O
InChI: InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13-,14+,15+,16+,19-,20-/m0/s1
InChIKey: FWPMSYUTOOUASJ-FEWSYOOLSA-N
Reference
Exserohilone: a novel phytotoxin produced by Exserohilum holmii
PubChem CID: 163039822
LOTUS: LTS0204890
SuperNatural Ⅲ: SN0097464-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Exserohilum holmii | Exserohilum | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 450.5380000000002
TPSA？: 115.22
MolLogP？: -0.4476000000000006
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|