Summary

IMPPAT Phytochemical identifier: IMPHY016352

Phytochemical name: 2,3-Dimethoxy-5-(prop-2-en-1-yl)phenol

Synonymous chemical names:
3-allyl-5,6-dimet hoxyphenol

External chemical identifiers:
CID:71401784

---

Chemical structure information

SMILES:
C=CCc1cc(OC)c(c(c1)O)OC

InChI:
InChI=1S/C11H14O3/c1-4-5-8-6-9(12)11(14-3)10(7-8)13-2/h4,6-7,12H,1,5H2,2-3H3

InChIKey:
WIGZLFBLFZYGEE-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6)O))OC

Functional groups:
C=CC, cO, 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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.381

---

Chemical structure download