Neopestalotin C
AlkaPlorer ID: AK097961
Synonym: None
IUPAC Name: (3Z,5S)-3-[[(1S,2R,4aS,6R,8aR)-6-hydroxy-1,3,6-trimethyl-2-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione
Structure
SMILES: C/C=C/[C@@H]1C(C)=C[C@@H]2C[C@](C)(O)CC[C@H]2[C@]1(C)/C(O)=C1\C(=O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C23H33NO5/c1-6-7-15-12(2)10-14-11-22(4,29)9-8-16(14)23(15,5)20(27)17-19(26)18(13(3)25)24-21(17)28/h6-7,10,13-16,18,25,27,29H,8-9,11H2,1-5H3,(H,24,28)/b7-6+,20-17-/t13-,14-,15-,16-,18+,22-,23-/m1/s1
InChIKey: SNXAKSRHGXBEES-OAEATYJWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 403.5190000000001
TPSA？: 110.35
MolLogP？: 3.412900000000002
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|