Rotundine A
AlkaPlorer ID: AK052354
Synonym: 'rotundine A', '(-)-Rotundine A'
IUPAC Name: 4-[(6S)-1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl]butan-2-one
Structure
SMILES: CC(=O)CC[C@H]1CC2=C(C)N=CC=C2C1(C)C
InChI: InChI=1S/C15H21NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,12H,5-6,9H2,1-4H3/t12-/m0/s1
InChIKey: RNURUJBYBMGADV-LBPRGKRZSA-N
Reference
Rotundines A−C, Three Novel Sesquiterpene Alkaloids from <i>Cyperus rotundus</i>
PubChem CID: 162995585
LOTUS: LTS0171857
SuperNatural Ⅲ: SN0330447-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cyperus rotundus | Cyperus | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 231.339
TPSA？: 29.96
MolLogP？: 3.209120000000002
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|