Rotundine B
AlkaPlorer ID: AK052371
Synonym: '(-)-Rotundine B', '(-)-Rotundine C', 'Rotundine C'
IUPAC Name: (2R)-4-[(6R)-1,5,5-trimethyl-6,7-dihydrocyclopenta[c]pyridin-6-yl]butan-2-ol
Structure
SMILES: CC1=C2C[C@@H](CC[C@@H](C)O)C(C)(C)C2=CC=N1
InChI: InChI=1S/C15H23NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,10,12,17H,5-6,9H2,1-4H3/t10-,12-/m1/s1
InChIKey: IMDXDPUTIISQIM-ZYHUDNBSSA-N
Reference
Rotundines A−C, Three Novel Sesquiterpene Alkaloids from <i>Cyperus rotundus</i>
PubChem CID: 10489837
LOTUS: LTS0026787
SuperNatural Ⅲ: SN0149304-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cyperus rotundus | Cyperus | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 233.355
TPSA？: 33.120000000000005
MolLogP？: 3.0009200000000016
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|