Nigrosporapyrone B
AlkaPlorer ID: AK025850
Synonym: None
IUPAC Name: 6-[(1R,2S,4aR,5R,8aR)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxopyran-3-carbaldehyde
Structure
SMILES: C[C@H]1C=C[C@@H]2[C@@H](CCC[C@H]2O)[C@@H]1C1=CC(NCCO)=C(C=O)C(=O)O1
InChI: InChI=1S/C19H25NO5/c1-11-5-6-12-13(3-2-4-16(12)23)18(11)17-9-15(20-7-8-21)14(10-22)19(24)25-17/h5-6,9-13,16,18,20-21,23H,2-4,7-8H2,1H3/t11-,12+,13+,16+,18+/m0/s1
InChIKey: RNNBHSZAAMKUBX-CIUFSVDPSA-N
Reference
Pyrone derivatives from the marine-derived fungus Nigrospora sp. PSU-F18
PubChem CID: 139583370
LOTUS: LTS0132440
SuperNatural Ⅲ: SN0330215-01
{NPAtlas: NPA001001
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigrospora sp. | Nigrospora | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 347.4110000000001
TPSA？: 99.77
MolLogP？: 1.9232
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|