Summary

IMPPAT Phytochemical identifier: IMPHY012990

Phytochemical name: Argentinine

Synonymous chemical names:
argentinine

External chemical identifiers:
CID:10085878, ChEMBL:CHEMBL458139

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Chemical structure information

SMILES:
COc1c(O)cc(c2c1c1ccccc1cc2)CCN(C)C

InChI:
InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3

InChIKey:
HCXNUWJYBNHDAE-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6cccccc6cc%10))))))))))CCNC)C

Functional groups:
CN(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: 6,6a-secoaporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.648

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Chemical structure download