Molecule

Roemerine; (±)-form, N-De-Me

AlkaPlorer ID: AK312624

Synonym: None

IUPAC Name: 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

SMILES: C1=CC=C2C(=C1)CC1NCCC3=C1C2=C1OCOC1=C3

InChI: InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2

InChIKey: VZTUKBKUWSHDFM-UHFFFAOYSA-N

PubChem CID: 3462225

CAS: 1862-41-5

LOTUS: LTS0117403

NPASS: NPC191213

COCONUT: CNP0155056.2

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nelumbo nucifera	Nelumbo	Nelumbonaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona reticulata	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona squamosa	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melia azedarach	Melia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia officinalis	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 265.3119999999999

TPSA？: 30.49

MolLogP？: 2.8252000000000006

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mycobacterium sp.	Mycobacterium sp.	MIC	12.0	ug.mL-1	10.1016/j.ejmech.2017.06.005