Summary

IMPPAT Phytochemical identifier: IMPHY005866

Phytochemical name: 4-[(1E)-3,3-dimethylpenta-1,4-dienyl]phenol

Synonymous chemical names:
corylifolin

External chemical identifiers:
CID:5470819, ChEMBL:CHEMBL1990546

---

Chemical structure information

SMILES:
C=CC(/C=C/c1ccc(cc1)O)(C)C

InChI:
InChI=1S/C13H16O/c1-4-13(2,3)10-9-11-5-7-12(14)8-6-11/h4-10,14H,1H2,2-3H3/b10-9+

InChIKey:
DKVQOAMBVKKPAM-MDZDMXLPSA-N

DeepSMILES:
C=CC/C=C/cccccc6))O)))))))C)C

Functional groups:
C=CC, c/C=C/C, cO

---

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: 1.273

---

Chemical structure download