Summary

IMPPAT Phytochemical identifier: IMPHY010023

Phytochemical name: Darienine

Synonymous chemical names:
darienine, darienine(tetrahydroproteoberberine alkaloids)

External chemical identifiers:
CID:5487308

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Chemical structure information

SMILES:
COC1=C(OC)C(=O)C=C2C1=C1NC=CC(=C1C2=O)C

InChI:
InChI=1S/C15H13NO4/c1-7-4-5-16-12-10(7)13(18)8-6-9(17)14(19-2)15(20-3)11(8)12/h4-6,16H,1-3H3

InChIKey:
YIPHNFIACWVOPU-UHFFFAOYSA-N

DeepSMILES:
COC=COC))C=O)C=CC6=CNC=CC=C6C9=O)))C

Functional groups:
COC1=C(OC)C2=C3NC=CC(C)=C3C(=O)C2=CC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=C3NC=CC=C3C(=O)C2=C1

Scaffold Graph/Node level:
OC1CCC2C(C1)C(O)C1CCCNC12

Scaffold Graph level:
CC1CCC2C(C1)C(C)C1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP-Likeness score: 2.119

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Chemical structure download