13-Hydroxylupanine; O-(3-Hydroxy-4,5-dimethoxybenzoyl)
AlkaPlorer ID: AK301345
Synonym: Cinegalleine
IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 3-hydroxy-4,5-dimethoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CCN3CC4CC(CN5C(=O)CCCC45)C3C2)=CC(O)=C1OC
InChI: InChI=1S/C24H32N2O6/c1-30-21-10-14(9-20(27)23(21)31-2)24(29)32-17-6-7-25-12-15-8-16(19(25)11-17)13-26-18(15)4-3-5-22(26)28/h9-10,15-19,27H,3-8,11-13H2,1-2H3
InChIKey: VALBSCDJKQTVIG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 444.52800000000025
TPSA？: 88.54
MolLogP？: 2.43
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|