13-Hydroxylupanine; O-(3,5-Dihydroxy-4-methoxybenzoyl)
AlkaPlorer ID: AK301340
Synonym: Cinegalline
IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 3,5-dihydroxy-4-methoxybenzoate
Structure
SMILES: COC1=C(O)C=C(C(=O)OC2CCN3CC4CC(CN5C(=O)CCCC45)C3C2)C=C1O
InChI: InChI=1S/C23H30N2O6/c1-30-22-19(26)8-13(9-20(22)27)23(29)31-16-5-6-24-11-14-7-15(18(24)10-16)12-25-17(14)3-2-4-21(25)28/h8-9,14-18,26-27H,2-7,10-12H2,1H3
InChIKey: WCNNCIUCJFPASX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 430.50100000000026
TPSA？: 99.54
MolLogP？: 2.127
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|