2-Amino-3-hydroxybenzoic acid; O,N-Di-Me, Me ester
AlkaPlorer ID: AK043328
Synonym: Damascenine
IUPAC Name: methyl 3-methoxy-2-(methylamino)benzoate
Structure
SMILES: CNC1=C(C(=O)OC)C=CC=C1OC
InChI: InChI=1S/C10H13NO3/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2/h4-6,11H,1-3H3
InChIKey: ZRWJIZYZTLTXJI-UHFFFAOYSA-N
Reference
Studien über die Alkaloide der Nigella‐Arten
PubChem CID: 21368
CAS: 483-64-7
LOTUS: LTS0134125
SuperNatural Ⅲ: SN0478623
NPASS: NPC308694
COCONUT: CNP0317555
Source
Properties Information
Molecule Weight: 195.218
TPSA?: 47.56
MolLogP?: 1.5235
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
