Crispine E
AlkaPlorer ID: AK065570
Synonym: '', 'Crispine E'
IUPAC Name: 2-[3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propyl]guanidine
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@H](CCCNC(=N)N)NCC2
InChI: InChI=1S/C15H24N4O2/c1-20-13-8-10-5-7-18-12(4-3-6-19-15(16)17)11(10)9-14(13)21-2/h8-9,12,18H,3-7H2,1-2H3,(H4,16,17,19)/t12-/m0/s1
InChIKey: FRROOMGFBCWJRP-LBPRGKRZSA-N
Reference
Novel bioactive isoquinoline alkaloids from Carduus crispus
PubChem CID: 24823534
LOTUS: LTS0206516
SuperNatural Ⅲ: SN0093773-01
NPASS: NPC91678
Source
Properties Information
Molecule Weight: 292.38300000000004
TPSA?: 92.39
MolLogP?: 1.1538700000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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