Summary

IMPPAT Phytochemical identifier: IMPHY011157

Phytochemical name: Taliscanine

Synonymous chemical names:
taliscanine

External chemical identifiers:
CID:10859838

---

Chemical structure information

SMILES:
COc1cc2C(=O)Nc3c2c(c1OC)c1cccc(c1c3)OC

InChI:
InChI=1S/C18H15NO4/c1-21-13-6-4-5-9-10(13)7-12-15-11(18(20)19-12)8-14(22-2)17(23-3)16(9)15/h4-8H,1-3H3,(H,19,20)

InChIKey:
DCWZBQMWCAMEEF-UHFFFAOYSA-N

DeepSMILES:
COcccC=O)Ncc5cc9OC)))cccccc6c%10))OC

Functional groups:
cNC(c)=O, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2cc3ccccc3c3cccc1c23

Scaffold Graph/Node level:
OC1NC2CC3CCCCC3C3CCCC1C23

Scaffold Graph level:
CC1CC2CC3CCCCC3C3CCCC1C23

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aristolactams

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids

NP-Likeness score: 0.879

---

Chemical structure download