Ascosetin
AlkaPlorer ID: AK038186
Synonym: None
IUPAC Name: (E)-3-[(1R,2R,4aR,6S,8aS)-1-[(E)-hydroxy-[5-(2-methylpropyl)-2,4-dioxopyrrolidin-3-ylidene]methyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]but-2-enoic acid
Structure
SMILES: CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(/C(O)=C2\C(=O)NC(CC(C)C)C2=O)[C@H]1/C(C)=C/C(=O)O
InChI: InChI=1S/C26H37NO5/c1-13(2)9-19-23(30)21(25(32)27-19)24(31)26(6)18-8-7-14(3)10-17(18)11-15(4)22(26)16(5)12-20(28)29/h11-14,17-19,22,31H,7-10H2,1-6H3,(H,27,32)(H,28,29)/b16-12+,24-21+/t14-,17+,18-,19?,22+,26+/m0/s1
InChIKey: AAOOVFKOTYJAEJ-QICRYISHSA-N
Reference
Lindgomycin, an Unusual Antibiotic Polyketide from a Marine Fungus of the Lindgomycetaceae
PubChem CID: 156583100
{NPAtlas: NPA032507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Lindgomycetaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 443.5840000000003
TPSA？: 103.7
MolLogP？: 4.5778000000000025
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|