Alachalasin A; Δ6,12-Isomer (5βH)
AlkaPlorer ID: AK283651
Synonym: Alachalasin D
IUPAC Name: 4,13-dihydroxy-5,8,15,17-tetramethyl-14-methylidene-6-oxa-18-azatetracyclo[10.7.0.01,16.05,7]nonadec-10-ene-2,19-dione
Structure
SMILES: C=C1C(C)C2C(C)NC(=O)C23C(=O)CC(O)C2(C)OC2C(C)CC=CC3C1O
InChI: InChI=1S/C22H31NO5/c1-10-7-6-8-14-18(26)12(3)11(2)17-13(4)23-20(27)22(14,17)16(25)9-15(24)21(5)19(10)28-21/h6,8,10-11,13-15,17-19,24,26H,3,7,9H2,1-2,4-5H3,(H,23,27)
InChIKey: JLIGZLZPWHFDND-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Podospora vesticola | Podospora | Podosporaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 389.4920000000001
TPSA？: 99.16
MolLogP？: 1.3638999999999994
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|