Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014337

Phytochemical name: Darienine

Synonymous chemical names:
darienine(tetrahydroproteoberberine alkaloids), darienine, Darienine

External chemical identifiers:
CID:CID_130672, ChEMBL:CHEMBL449820, ZINC:ZINC000006071993, FDASRS:F33SQ49WKW

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Chemical structure information

SMILES:
COc1c(OC)c(O)cc2c1-c1nccc(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/h4-6,17H,1-3H3

InChIKey:
BZDOUYRDEWHTCN-UHFFFAOYSA-N

DeepSMILES:
COccOC))cO)ccc6-cncccc6C9=O)))C

Functional groups:
cOC, cO, cnc, cC(=O)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2ncccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C2NCCCC12

Scaffold Graph level:
CC1C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 1.438

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Chemical structure download