Cremastrine
AlkaPlorer ID: AK047856
Synonym: None
IUPAC Name: [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2-hydroxy-3-methylpentanoate
Structure
SMILES: CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12
InChI: InChI=1S/C14H25NO3/c1-3-10(2)13(16)14(17)18-9-11-6-8-15-7-4-5-12(11)15/h10-13,16H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1
InChIKey: AVBKRVFZNFJQBK-FVCCEPFGSA-N
Reference
Cremastrine, a Pyrrolizidine Alkaloid from <i>Cremastra </i><i>a</i><i>ppendiculata</i>
PubChem CID: 656392
LOTUS: LTS0126250
SuperNatural Ⅲ: SN0016169-01
NPASS: NPC233108
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cremastra appendiculata | Cremastra | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.35799999999992
TPSA？: 49.77
MolLogP？: 1.4208999999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Muscarinic acetylcholine receptor M1 | IC50 | 505.0 | nM | 10.1021/np049650x |
| Homo sapiens | Muscarinic acetylcholine receptor M2 | IC50 | 5517.0 | nM | 10.1021/np049650x |
| Homo sapiens | Muscarinic acetylcholine receptor M3 | IC50 | 126.0 | nM | 10.1021/np049650x |
| Homo sapiens | Muscarinic acetylcholine receptor M4 | IC50 | 498.0 | nM | 10.1021/np049650x |
| Homo sapiens | Muscarinic acetylcholine receptor M5 | IC50 | 1220.0 | nM | 10.1021/np049650x |