Wakodecaline A
AlkaPlorer ID: AK419828
Synonym: None
IUPAC Name: 3-hydroxy-2-[[3-(3-hydroxybut-1-enyl)-4,7,9b-trimethyl-1-oxo-3,3a,5a,6,7,8,9,9a-octahydro-2H-cyclopenta[a]naphthalene-2-carbonyl]-methylamino]propanoic acid
Structure
SMILES: CC1=CC2CC(C)CCC2C2(C)C(=O)C(C(=O)N(C)C(CO)C(=O)O)C(C=CC(C)O)C12
InChI: InChI=1S/C25H37NO6/c1-13-6-9-18-16(10-13)11-14(2)21-17(8-7-15(3)28)20(22(29)25(18,21)4)23(30)26(5)19(12-27)24(31)32/h7-8,11,13,15-21,27-28H,6,9-10,12H2,1-5H3,(H,31,32)
InChIKey: JDXAKDFLLVKKOO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Cucurbitariaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 447.5720000000002
TPSA？: 115.14
MolLogP？: 2.2772
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|