Summary

IMPPAT Phytochemical identifier: IMPHY002354

Phytochemical name: Dihydrocoptisine

Synonymous chemical names:
dihydrocoptisine

Chemical structure information

SMILES:
C1Oc2c(O1)cc1c(c2)CCN2C1=Cc1ccc3c(c1C2)OCO3

InChI:
InChI=1S/C19H15NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-7H,3-4,8-10H2

InChIKey:
FYTDXOGJMXIITH-UHFFFAOYSA-N

DeepSMILES:
COccO5)cccc6)CCNC6=Ccccccc6C%10))OCO5

Functional groups:
c1cOCO1, cC=C(c)N(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2c3cc4c(cc3CCN2Cc2c1ccc1c2OCO1)OCO4

Scaffold Graph/Node level:
C1OC2CC3CCN4CC5C(CCC6OCOC65)CC4C3CC2O1

Scaffold Graph level:
C1CC2CC3CCC4CC5C(CCC6CCCC65)CC4C3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Protoberberine alkaloids

NP-Likeness score: 0.808

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Chemical structure download