(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 3,4-dimethoxybenzoate
AlkaPlorer ID: AK253056
Synonym: None
IUPAC Name: [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)C=C1OC
InChI: InChI=1S/C24H32N2O5/c1-29-21-7-6-15(11-22(21)30-2)24(28)31-18-8-9-25-13-16-10-17(20(25)12-18)14-26-19(16)4-3-5-23(26)27/h6-7,11,16-20H,3-5,8-10,12-14H2,1-2H3/t16-,17-,18-,19+,20-/m0/s1
InChIKey: NSCGXCFTTLNOMA-FSGKZVOOSA-N
Reference
Ester alkaloids of Genista cinerea subspecies Cinerea
PubChem CID: 15939894
LOTUS: LTS0236023
SuperNatural Ⅲ: SN0253777-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 428.5290000000002
TPSA？: 68.31
MolLogP？: 2.7244
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|