Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009723

Phytochemical name: Groenlandicine

Synonymous chemical names:
Dehydrocheilanthifoline, dehydrocheilanthifoline

External chemical identifiers:
CID:CID_3084708, ZINC:ZINC000015264117, MolPort-044-726-839

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Chemical structure information

SMILES:
COc1cc2-c3cc4ccc5c(c4c[n+]3CCc2cc1O)OCO5

InChI:
InChI=1S/C19H15NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,6-9H,4-5,10H2,1H3/p+1

InChIKey:
PGIOBGCIEGZHJH-UHFFFAOYSA-O

DeepSMILES:
COccc-cccccccc6c[n+]%10CCc%14cc%18O)))))))))OCO5

Functional groups:
cOC, c[n+](c)C, cO, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC[n+]1cc3c4c(ccc3cc1-2)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CC3C(CCC4OCOC43)CC21

Scaffold Graph level:
C1CCC2C(C1)CCC1CC3C(CCC4CCCC43)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP-Likeness score: 1.724

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Chemical structure download