Crispine C
AlkaPlorer ID: AK043815
Synonym: 'Carcrisine B', 'Crispine C'
IUPAC Name: 2-[3-(6,7-dimethoxyisoquinolin-1-yl)propyl]guanidine
Structure
SMILES: COC1=CC2=CC=NC(CCCNC(=N)N)=C2C=C1OC
InChI: InChI=1S/C15H20N4O2/c1-20-13-8-10-5-7-18-12(4-3-6-19-15(16)17)11(10)9-14(13)21-2/h5,7-9H,3-4,6H2,1-2H3,(H4,16,17,19)
InChIKey: VRUYEFQLMTVERU-UHFFFAOYSA-N
Reference
Novel bioactive isoquinoline alkaloids from Carduus crispus
PubChem CID: 10062645
CAS: 474304-18-2
LOTUS: LTS0016335
NPASS: NPC179291
COCONUT: CNP0283051
data_source: manually
Source
Properties Information
Molecule Weight: 288.35100000000006
TPSA?: 93.25
MolLogP?: 1.66767
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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