Summary

IMPPAT Phytochemical identifier: IMPHY000602

Phytochemical name: M-Cymene

Synonymous chemical names:
beta-cymene, cymene, beta-, cymenene (meta), m-cymene, meta-cymenene, β-cymene

External chemical identifiers:
CID:10812, ZINC:ZINC000001699438, FDASRS:10ZH8R921S, SureChEMBL:SCHEMBL99347

---

Chemical structure information

SMILES:
Cc1cccc(c1)C(C)C

InChI:
InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

InChIKey:
XCYJPXQACVEIOS-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)CC)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: Cumenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: -0.858

---

Chemical structure download