Wakodecaline B
AlkaPlorer ID: AK109560
Synonym: None
IUPAC Name: (2R)-2-[[(2S,3R,3aS,5aR,7S,9aS,9bR)-4,7,9b-trimethyl-1-oxo-3-[(E)-3-oxobut-1-enyl]-3,3a,5a,6,7,8,9,9a-octahydro-2H-cyclopenta[a]naphthalene-2-carbonyl]-methylamino]-3-hydroxypropanoic acid
Structure
SMILES: CC(=O)/C=C/[C@H]1[C@H](C(=O)N(C)[C@H](CO)C(=O)O)C(=O)[C@@]2(C)[C@@H]1C(C)=C[C@H]1C[C@@H](C)CC[C@@H]12
InChI: InChI=1S/C25H35NO6/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/h7-8,11,13,16-21,27H,6,9-10,12H2,1-5H3,(H,31,32)/b8-7+/t13-,16+,17-,18-,19+,20-,21+,25+/m0/s1
InChIKey: ARANVBSJVTTXRP-KGMUJOTPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrenochaetopsis sp. | Pyrenochaetopsis | Pyrenochaetopsidaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 445.55600000000027
TPSA？: 111.98000000000002
MolLogP？: 2.4853999999999994
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|