Paecilosetin
AlkaPlorer ID: AK056360
Synonym: '', 'Paecilosetin'
IUPAC Name: (3E,5S)-3-[[(1R,2R,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione
Structure
SMILES: C/C=C/[C@@H]1C=C[C@H]2C[C@H](C)CC[C@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13-,14+,15-,16-,18+,22+/m1/s1
InChIKey: MOMBVLIMWZDBMW-LBTMPJCTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cordyceps farinosa | Cordyceps | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 373.49300000000005
TPSA？: 90.12
MolLogP？: 3.907900000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|