Summary

IMPPAT Phytochemical identifier: IMPHY005069

Phytochemical name: Corydamine

Synonymous chemical names:
corydamine

External chemical identifiers:
CID:5316094, ZINC:ZINC000013408620

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Chemical structure information

SMILES:
CNCCc1cc2OCOc2cc1c1ncc2c(c1)ccc1c2OCO1

InChI:
InChI=1S/C20H18N2O4/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16-6-12-2-3-17-20(26-11-23-17)15(12)9-22-16/h2-3,6-9,21H,4-5,10-11H2,1H3

InChIKey:
VWHAIQHZMVRBJN-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOCOc5cc9cncccc6)cccc6OCO5

Functional groups:
CNC, c1cOCO1, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cc1-c1cc3ccc4c(c3cn1)OCO4)OCO2

Scaffold Graph/Node level:
C1OC2CCC(C3CC4CCC5OCOC5C4CN3)CC2O1

Scaffold Graph level:
C1CC2CCC(C3CCC4C(CCC5CCCC54)C3)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Isoquinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.61

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Chemical structure download