Summary

IMPPAT Phytochemical identifier: IMPHY016564

Phytochemical name: Cinnamyl valerate

Synonymous chemical names:
cinnamyl pentanoate

External chemical identifiers:
CID:5367959, ZINC:ZINC000005819883, SureChEMBL:SCHEMBL1305900

---

Chemical structure information

SMILES:
CCCCC(=O)OC/C=C/c1ccccc1

InChI:
InChI=1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+

InChIKey:
FLSKWIBFXUNBAW-JXMROGBWSA-N

DeepSMILES:
CCCCC=O)OC/C=C/cccccc6

Functional groups:
COC(C)=O, c/C=C/C

---

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: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.406

---

Chemical structure download