Summary

IMPPAT Phytochemical identifier: IMPHY017324

Phytochemical name: Cyclohexane, 1-methylene-4-(1-methylethylidene)-

Synonymous chemical names:
p-mentha-1(7),4(8)-diene

External chemical identifiers:
CID:522319, SureChEMBL:SCHEMBL11555837

---

Chemical structure information

SMILES:
CC(=C1CCC(=C)CC1)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h3-7H2,1-2H3

InChIKey:
JAFDMBBDFYFVAB-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=C)CC6))))))C

Functional groups:
C=C(C)C, CC(C)=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC(=C)CC1

Scaffold Graph/Node level:
CC1CCC(C)CC1

Scaffold Graph level:
CC1CCC(C)CC1

---

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-Likeness score: 1.822

---

Chemical structure download