Pyrenosetin C
AlkaPlorer ID: AK327551
Synonym: None
IUPAC Name: (2R,3R,3aS,5'R,5aR,7S,9aS,9bR)-5'-(hydroxymethyl)-1',4,7,9b-tetramethyl-3-(3-oxobut-1-enyl)spiro[3,3a,5a,6,7,8,9,9a-octahydrocyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'-trione
Structure
SMILES: CC(=O)C=C[C@@H]1[C@H]2C(C)=C[C@H]3C[C@@H](C)CC[C@@H]3[C@@]2(C)C(=O)[C@@]12C(=O)[C@@H](CO)N(C)C2=O
InChI: InChI=1S/C25H33NO5/c1-13-6-8-17-16(10-13)11-14(2)20-18(9-7-15(3)28)25(22(30)24(17,20)4)21(29)19(12-27)26(5)23(25)31/h7,9,11,13,16-20,27H,6,8,10,12H2,1-5H3/t13-,16+,17-,18+,19+,20+,24+,25-/m0/s1
InChIKey: LQXNTMMEAPEMLM-DMLHXFJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrenochaetopsis sp. | Pyrenochaetopsis | Pyrenochaetopsidaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 427.54100000000017
TPSA？: 91.75
MolLogP？: 2.3537
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|