Summary

IMPPAT Phytochemical identifier: IMPHY003068

Phytochemical name: Dehydrocorydalmine

Synonymous chemical names:
dehydrocorydalmine

External chemical identifiers:
CID:3083983, ChEMBL:CHEMBL1618061, ChEBI:70645

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Chemical structure information

SMILES:
COc1cc2-c3cc4ccc(c(c4c[n+]3CCc2cc1OC)OC)O

InChI:
InChI=1S/C20H19NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,8-11H,6-7H2,1-3H3/p+1

InChIKey:
VQSYXVWEZATIHL-UHFFFAOYSA-O

DeepSMILES:
COccc-cccccccc6c[n+]%10CCc%14cc%18OC))))))))))OC)))O

Functional groups:
cO, cOC, c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC[n+]1cc3ccccc3cc1-2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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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, Isoquinoline alkaloids

NP-Likeness score: 1.508

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Chemical structure download