Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001168

Phytochemical name: Carvacrol methyl ether

Synonymous chemical names:
carvacrol methyl ether, methyl carvacrol, carvacrol-methyl-ether, carvacryl methyl ether, carvacrol, methyl ether, carvacryl methylether, carvacrol-methyl ether, Carvacrol methyl ether, carvacrolmethyl ether, carvacrol methyl eter, methyl carvacrol+

External chemical identifiers:
CID:CID_80790, ChEMBL:CHEMBL464709, ZINC:ZINC000001599255, FDASRS:VG90I876VI, SureChEMBL:SCHEMBL358026, MolPort-006-117-894

---

Chemical structure information

SMILES:
COc1cc(ccc1C)C(C)C

InChI:
InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3

InChIKey:
YVLHTQPPMZOCOW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C))))CC)C

Functional groups:
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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.339

---

Chemical structure download