Wakodecaline A
AlkaPlorer ID: AK109556
Synonym: None
IUPAC Name: (2R)-2-[[(2S,3R,3aS,5aR,7S,9aS,9bR)-3-[(E,3S)-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]-3-hydroxypropanoic acid
Structure
SMILES: CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]2(C)C(=O)[C@@H](C(=O)N(C)[C@H](CO)C(=O)O)[C@H](/C=C/[C@H](C)O)[C@@H]12
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)/b8-7+/t13-,15-,16+,17-,18-,19+,20-,21+,25+/m0/s1
InChIKey: JDXAKDFLLVKKOO-UDDRCHRDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrenochaetopsis sp. | Pyrenochaetopsis | Pyrenochaetopsidaceae | 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 |
|---|