Nigrospine
AlkaPlorer ID: AK104743
Synonym: None
IUPAC Name: (3S,3aS,8bS)-3a,8,8b-trihydroxy-6-[(2S,3R)-3-hydroxybutan-2-yl]-3-[(1R)-1-hydroxyethyl]-2,7-dimethyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one
Structure
SMILES: CC1=C(O)C2=C(C=C1[C@H](C)[C@@H](C)O)O[C@@]1(O)[C@H]([C@@H](C)O)N(C)C(=O)[C@]21O
InChI: InChI=1S/C18H25NO7/c1-7(9(3)20)11-6-12-13(14(22)8(11)2)17(24)16(23)19(5)15(10(4)21)18(17,25)26-12/h6-7,9-10,15,20-22,24-25H,1-5H3/t7-,9-,10-,15+,17-,18+/m1/s1
InChIKey: JELWCSRCEBMYQY-NFCVBWQWSA-N
Reference
Alkaloids and citrinins from marine-derived fungus Nigrospora oryzae SCSGAF 0111
PubChem CID: 139588196
LOTUS: LTS0085253
{NPAtlas: NPA018297
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigrospora oryzae | Nigrospora | Apiosporaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 367.39800000000014
TPSA？: 130.69
MolLogP？: -0.3250800000000006
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|