UNPD111410
AlkaPlorer ID: AK103828
Synonym: None
IUPAC Name: [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z,3S)-3-hydroxyoct-5-enoate
Structure
SMILES: CC/C=C\C[C@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1
InChI: InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3-/t16-,17-,18-,19-,20+,21-/m0/s1
InChIKey: COEBHSNHYKFGAA-JPSXNCOBSA-N
Reference
Ester alkaloids of Genista cinerea subspecies Cinerea
PubChem CID: 163077354
LOTUS: LTS0131202
SuperNatural Ⅲ: SN0051133-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 404.5510000000002
TPSA？: 70.08000000000001
MolLogP？: 2.5007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|