Adlumidiceine
AlkaPlorer ID: AK001967
Synonym: 5-[[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid
IUPAC Name: 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid
Structure
SMILES: CN(C)CCC1=CC2=C(C=C1CC(=O)C1=C(C(=O)O)C3=C(C=C1)OCO3)OCO2
InChI: InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)
InChIKey: ZWRGIDKDYJXLHP-UHFFFAOYSA-N
Reference
Alkaloids of Fumaria vaillantii
PubChem CID: 12866383
CAS: 51059-65-5
LOTUS: LTS0133978
SuperNatural Ⅲ: SN0482325
NPASS: NPC19386
COCONUT: CNP0109666
data_source: manually
Source
Properties Information
Molecule Weight: 399.39900000000017
TPSA？: 94.53000000000002
MolLogP？: 2.3717000000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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