13-Hydroxylupanine; O-(3,4-Dimethoxybenzoyl)
AlkaPlorer ID: AK301341
Synonym: Cineverine
IUPAC Name: (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)OC2CCN3CC4CC(CN5C(=O)CCCC45)C3C2)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
InChIKey: NSCGXCFTTLNOMA-UHFFFAOYSA-N
Reference
Ester alkaloids of Genista cinerea subspecies Cinerea
PubChem CID: 73201071
LOTUS: LTS0169150
COCONUT: CNP0249328.2
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 |
|---|