Pestalachloride A
AlkaPlorer ID: AK070401
Synonym: 'Pestalachloride A'
IUPAC Name: (3R)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one
Structure
SMILES: COC1=C(Cl)C(C)=C(Cl)C(O)=C1[C@@H]1N=C(O)C2=C(O)C=C(O)C(CC=C(C)C)=C21
InChI: InChI=1S/C21H21Cl2NO5/c1-8(2)5-6-10-11(25)7-12(26)14-13(10)18(24-21(14)28)15-19(27)16(22)9(3)17(23)20(15)29-4/h5,7,18,25-27H,6H2,1-4H3,(H,24,28)/t18-/m1/s1
InChIKey: IFONQCDBHMGEFN-GOSISDBHSA-N
Reference
Pestalachlorides A–C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta
PubChem CID: 162992242
LOTUS: LTS0118264
SuperNatural Ⅲ: SN0144348-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pestalotiopsis adusta | Pestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 438.3070000000002
TPSA？: 102.51
MolLogP？: 5.343520000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|