13-Hydroxylupanine; O-(4-Hydroxy-3-methoxybenzoyl)
AlkaPlorer ID: AK301347
Synonym: Cinevanine, 13-Vanilloyloxylupanine
IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 4-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CCN3CC4CC(CN5C(=O)CCCC45)C3C2)=CC=C1O
InChI: InChI=1S/C23H30N2O5/c1-29-21-10-14(5-6-20(21)26)23(28)30-17-7-8-24-12-15-9-16(19(24)11-17)13-25-18(15)3-2-4-22(25)27/h5-6,10,15-19,26H,2-4,7-9,11-13H2,1H3
InChIKey: AMMMAZLQEYJIKN-UHFFFAOYSA-N
Reference
Alkaloids of Rothia trifoliata and Rothia hirsuta
PubChem CID: 14109020
CAS: 34221-21-1
LOTUS: LTS0007109
COCONUT: CNP0167616.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Genista cinerea | Genista | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 414.5020000000002
TPSA？: 79.31
MolLogP？: 2.4214
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|