Summary

IMPPAT Phytochemical identifier: IMPHY003085

Phytochemical name: Groenlandicine

Synonymous chemical names:
dehydrocheilanthifoline

External chemical identifiers:
CID:3084708, ZINC:ZINC000015264117, MolPort-044-726-839

---

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

---

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

---

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

NP-Likeness score: 1.724

---

Chemical structure download