Oxasetin
AlkaPlorer ID: AK045013
Synonym: None
IUPAC Name: 3-[(1S,2R,4aS,6R,8aR)-1,3,6-trimethyl-2-propyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-4-hydroxypyrrole-2,5-dione
Structure
SMILES: CCC[C@@H]1C(C)=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)C(=O)N=C1O
InChI: InChI=1S/C21H29NO4/c1-5-6-14-12(3)10-13-9-11(2)7-8-15(13)21(14,4)18(24)16-17(23)20(26)22-19(16)25/h10-11,13-15H,5-9H2,1-4H3,(H2,22,23,25,26)/t11-,13+,14-,15-,21-/m1/s1
InChIKey: PGUSTONLIMHUIA-PGONBXCCSA-N
Reference
Oxasetin, a New Antibacterial Polyketide Produced by Fungus Vaginatispora aquatica, HK1821.
PubChem CID: 54699136
LOTUS: LTS0235309
SuperNatural Ⅲ: SN0285022-02
{NPAtlas: NPA009180
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aquatica | Lampyridae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 359.46600000000007
TPSA？: 86.96
MolLogP？: 4.299200000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|