UNPD5064
AlkaPlorer ID: AK252584
Synonym: None
IUPAC Name: (1R,4S,8R)-4-(3-methylbut-2-enyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-carboxylate
Structure
SMILES: CC(C)=CC[N@@+]12CCC[C@@H]1[C@H](C(=O)[O-])CC2
InChI: InChI=1S/C13H21NO2/c1-10(2)5-8-14-7-3-4-12(14)11(6-9-14)13(15)16/h5,11-12H,3-4,6-9H2,1-2H3/t11-,12-,14-/m1/s1
InChIKey: SEQFLUHCWYJYBN-YRGRVCCFSA-N
Reference
Triterpenoid Saponins from <i>Ilex kudincha</i>
PubChem CID: 162809160
SuperNatural Ⅲ: SN0343403-02
Source
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Properties Information
Molecule Weight: 223.316
TPSA？: 40.13
MolLogP？: 0.7015999999999998
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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