13-Hydroxylupanine; O-(3-Formyloxy-4,5-dimethoxybenzoyl)
AlkaPlorer ID: AK252984
Synonym: Formylcinegalleine
IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 3-formyloxy-4,5-dimethoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CCN3CC4CC(CN5C(=O)CCCC45)C3C2)=CC(OC=O)=C1OC
InChI: InChI=1S/C25H32N2O7/c1-31-21-9-15(10-22(33-14-28)24(21)32-2)25(30)34-18-6-7-26-12-16-8-17(20(26)11-18)13-27-19(16)4-3-5-23(27)29/h9-10,14,16-20H,3-8,11-13H2,1-2H3
InChIKey: IYAVIKUDDWZTOX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 472.5380000000003
TPSA？: 94.61
MolLogP？: 2.2596
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|