Coronatine
AlkaPlorer ID: AK038593
Synonym: 'Coronatine', '(+)-Coronatine'
IUPAC Name: (1S,2S)-1-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
Structure
SMILES: CC[C@H]1C=C(C(O)=N[C@@]2(C(=O)O)C[C@@H]2CC)[C@H]2CCC(=O)[C@H]2C1
InChI: InChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1
InChIKey: FMGBNISRFNDECK-CZSBRECXSA-N
Reference
Biosynthesis of coronatine: investigations of the biosynthesis of coronamic acid
PubChem CID: 91681
CAS: 62251-96-1
LOTUS: LTS0026219
SuperNatural Ⅲ: SN0089468-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas syringae | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 319.40100000000007
TPSA？: 86.96000000000001
MolLogP？: 3.147800000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|