Summary

IMPPAT Phytochemical identifier: IMPHY004203

Phytochemical name: Feniculin

Synonymous chemical names:
feniculin, foeniculin

External chemical identifiers:
CID:91746961, ChEBI:168725

---

Chemical structure information

SMILES:
C/C=Cc1ccc(cc1)OCC=C(C)C

InChI:
InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4-

InChIKey:
JGELFJUQMIUNOO-PLNGDYQASA-N

DeepSMILES:
C/C=Ccccccc6))OCC=CC)C

Functional groups:
CC=C(C)C, c/C=CC, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.921

---

Chemical structure download