Alopecurine
AlkaPlorer ID: AK152613
Synonym: '2alpha-Benzoyloxylycopecurine'
IUPAC Name: [(1R,2R,4S,8S,10R,11R,13S,15R)-11-hydroxy-15-methyl-6-azapentacyclo[8.6.0.01,6.02,13.04,10]hexadecan-8-yl] benzoate
Structure
SMILES: C[C@@H]1C[C@H]2C[C@@H](O)[C@]34C[C@H](OC(=O)C5=CC=CC=C5)CN5C[C@H]3C[C@H]2[C@@]54C1
InChI: InChI=1S/C23H29NO3/c1-14-7-16-8-20(25)22-11-18(27-21(26)15-5-3-2-4-6-15)13-24-12-17(22)9-19(16)23(22,24)10-14/h2-6,14,16-20,25H,7-13H2,1H3/t14-,16+,17-,18+,19-,20-,22+,23-/m1/s1
InChIKey: JDNADLAUPUHONX-CSOVGVJKSA-N
Reference
Alkaloids of <i>Lycopodium alopecuroides</i>. Part 4. The Structure of Lycopecurine
PubChem CID: 101297610
LOTUS: LTS0164295
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycopodiella alopecuroides | Lycopodiella | Lycopodiaceae | Lycopodiales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.4890000000002
TPSA？: 49.77
MolLogP？: 3.1033000000000017
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|