Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011932

Phytochemical name: Nordicentrine

Synonymous chemical names:
Nordicentrine, nordicentrine

External chemical identifiers:
CID:CID_168363, FDASRS:9POY24CU2Y

---

Chemical structure information

SMILES:
COc1cc2-c3c4[C@H](Cc2cc1OC)NCCc4cc1c3OCO1

InChI:
InChI=1S/C19H19NO4/c1-21-14-7-11-5-13-17-10(3-4-20-13)6-16-19(24-9-23-16)18(17)12(11)8-15(14)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1

InChIKey:
YNWJEUJZYKLCJG-ZDUSSCGKSA-N

DeepSMILES:
COccc-cc[C@H]Cc6cc%10OC))))))NCCc6ccc%10OCO5

Functional groups:
cOC, CNC, c1cOCO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

---

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: 1.711

---

Chemical structure download