4-Amino-3-hydroxybenzoic acid; N-(2,3,4-Trimethoxybenzoyl), Me ester
AlkaPlorer ID: AK240216
Synonym: Puberuline D
IUPAC Name: methyl 3-hydroxy-4-[(2,3,4-trimethoxybenzoyl)amino]benzoate
Structure
SMILES: COC(=O)C1=CC=C(N=C(O)C2=CC=C(OC)C(OC)=C2OC)C(O)=C1
InChI: InChI=1S/C18H19NO7/c1-23-14-8-6-11(15(24-2)16(14)25-3)17(21)19-12-7-5-10(9-13(12)20)18(22)26-4/h5-9,20H,1-4H3,(H,19,21)
InChIKey: ISPUDSOWMZSYJZ-UHFFFAOYSA-N
Reference
Alkaloids from <i>Aconitum barbatum</i> var. <i>puberulum</i>
PubChem CID: 101472879
LOTUS: LTS0001911
SuperNatural Ⅲ: SN0154272
COCONUT: CNP0171658
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum barbatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.35000000000014
TPSA？: 106.81000000000002
MolLogP？: 2.8409000000000013
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|