Summary

IMPPAT Phytochemical identifier: IMPHY003326

Phytochemical name: Norcorydine

Synonymous chemical names:
norcorydiene, norcorydine

External chemical identifiers:
CID:179491, ChEMBL:CHEMBL494053, ChEBI:175183

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Chemical structure information

SMILES:
COc1cc2CCN[C@@H]3c2c(-c2c(C3)ccc(c2OC)OC)c1O

InChI:
InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1

InChIKey:
HVMMFGYMZZVURQ-LBPRGKRZSA-N

DeepSMILES:
COcccCCN[C@@H]c6c-ccC6)cccc6OC)))OC)))))))c%10O

Functional groups:
CNC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cccc-2c31

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.735

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Chemical structure download