Pestalamine A
AlkaPlorer ID: AK481485
Synonym: None
IUPAC Name: [5-(3-amino-2-butoxycarbonylphenyl)-3-hydroxypent-4-en-2-yl] furan-2-carboxylate
Structure
SMILES: CCCCOC(=O)C1=C(N)C=CC=C1C=CC(O)C(C)OC(=O)C1=CC=CO1
InChI: InChI=1S/C21H25NO6/c1-3-4-12-27-21(25)19-15(7-5-8-16(19)22)10-11-17(23)14(2)28-20(24)18-9-6-13-26-18/h5-11,13-14,17,23H,3-4,12,22H2,1-2H3
InChIKey: OQSXRPBCVKZSHQ-UHFFFAOYSA-N
Reference
A new aromatic amine from fungus Pestalotiopsis vaccinii
PubChem CID: 162996896
LOTUS: LTS0089495
COCONUT: CNP0270329.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Amphisphaeriaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 387.4320000000001
TPSA？: 111.99
MolLogP？: 3.4383000000000026
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|